SCHEMBL1100403

SCHEMBL1100403

COC(=O)CCc1cc(C(=O)c2ccc(OC3CCCC3)cc2O)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.52
UGT1A1 P22309 1/20 0.52
UGT1A3 P35503 1/20 0.52
UGT1A8 Q9HAW9 1/20 0.52
LMNA P02545 4/20 0.39
ALDH1A1 P00352 4/20 0.39
PDE4A P27815 3/20 0.39
PDE4D Q08499 3/20 0.39
CYP1A2 P05177 2/20 0.39
HPGD P15428 2/20 0.39
CYP2C19 P33261 2/20 0.39
HTT P42858 2/20 0.39
PGR P06401 1/20 0.39
CYP2D6 P10635 1/20 0.39
SLC6A2 P23975 1/20 0.39
MAPK1 P28482 1/20 0.39
HRH1 P35367 1/20 0.39
SLC6A3 Q01959 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6829363 0.85 JUN (0.60) JUNUGT1A1UGT1A3UGT1A8LMNA
SCHEMBL2963264 0.84 JUN (0.59) JUNUGT1A1UGT1A3UGT1A8LMNA
SCHEMBL2963266 0.83 JUN (0.60) JUNUGT1A1UGT1A3UGT1A8PDE4A
SCHEMBL2956728 0.82 TP53 (0.49) ALDH1A1CYP1A2HPGDCYP2C19MAPK1
SCHEMBL2967003 0.82 JUN (0.57) JUNUGT1A1UGT1A3UGT1A8PDE4A
SCHEMBL2970244 0.82 JUN (0.57) JUNUGT1A1UGT1A3UGT1A8PDE4A
SCHEMBL2960899 0.82 JUN (0.59) JUNUGT1A1UGT1A3UGT1A8PDE4A
SCHEMBL2962804 0.82 HPGD (0.42) JUNLMNAALDH1A1PDE4APDE4D
SCHEMBL2962824 0.81 JUN (0.56) JUNUGT1A1UGT1A3UGT1A8PDE4A
SCHEMBL2967715 0.80 JUN (0.59) JUNUGT1A1UGT1A3UGT1A8PDE4A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1988085-B1 PROCESS FOR PRODUCTION OF 3-[5-[4-(CYCLOPENTYLOXY)-2-HYDROXYBENZOYL]-2-[(3-HYDROXY-1,2-BEZISOXAZOL-6-YL)METHOXY]PHENYL]PROPIONATE ESTER AND INTERMEDIATE FOR THE PROCESS TOYAMA CHEMICAL CO LTD (JP) 2014-11-12 EP disclosed
EP-2562170-B1 Process for production of 3-[5-[4-(cyclopentyloxy)-2-hydroxybenzoyl]-2-[(3-oxo-2-substituted-2,3-dihydro-1,2-benzisoxazol-6-yl)methoxy]phenyl]propionate ester and intermediate for the process TOYAMA CHEMICAL CO LTD (JP) 2014-10-29 EP disclosed
EP-2562170-A1 Process for production of 3-[5-[4-(cyclopentyloxy)-2-hydroxybenzoyl]-2-[(3-oxo-2-substituted-2,3-dihydro-1,2-benzisoxazol-6-yl)methoxy]phenyl]propionate ester and intermediate for the process TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-27 EP disclosed
EP-1445249-B1 NOVEL BENSOPHENONE DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO LTD (JP) 2012-11-07 EP disclosed
CN-101389614-B Process for the preparation of 3- [5- [4- (cyclopentyloxy) -2-hydroxybenzoyl ] -2- [ (3-oxo-2-substituted-2, 3-dihydro-1, 2-benzisoxazol-6-yl) methoxy ] phenyl ] propanoate and intermediates useful in the process TOYAMA CHEMICAL CO LTD 2012-10-31 CN disclosed
US-8153816-B2 Process for production of 3-[5-[4-(cyclopentyloxy)-2-hydroxybenzoyl]-2-[(3-OXO-2-substituted-2,3-dihydro-1,2-benzisoxazol-6-yl)methoxy]phenyl]propionate ester and intermediate for the process TOYAMA CHEMICAL CO., LTD. (JP) 2012-04-10 US disclosed
US-8153816-B2 Process for production of 3-[5-[4-(cyclopentyloxy)-2-hydroxybenzoyl]-2-[(3-OXO-2-substituted-2,3-dihydro-1,2-benzisoxazol-6-yl)methoxy]phenyl]propionate ester and intermediate for the process TOYAMA CHEMICAL CO., LTD. (JP) 2012-04-10 US disclosed
US-8153816-B2 Process for production of 3-[5-[4-(cyclopentyloxy)-2-hydroxybenzoyl]-2-[(3-OXO-2-substituted-2,3-dihydro-1,2-benzisoxazol-6-yl)methoxy]phenyl]propionate ester and intermediate for the process TOYAMA CHEMICAL CO., LTD. (JP) 2012-04-10 US disclosed
US-20110263866-A1 PROCESS FOR PRODUCTION OF 3-[5-[4-(CYCLOPENTYLOXY)-2-HYDROXYBENZOYL]-2-[(3-OXO-2-SUBSTITUTED-2,3-DIHYDRO-1,2-BENZISOXAZOL-6-YL)METHOXY]PHENYL]PROPIONATE ESTER AND INTERMEDIATE FOR THE PROCESS TOYAMA CHEMICAL CO., LTD. (JP) 2011-10-27 US disclosed
US-20110263866-A1 PROCESS FOR PRODUCTION OF 3-[5-[4-(CYCLOPENTYLOXY)-2-HYDROXYBENZOYL]-2-[(3-OXO-2-SUBSTITUTED-2,3-DIHYDRO-1,2-BENZISOXAZOL-6-YL)METHOXY]PHENYL]PROPIONATE ESTER AND INTERMEDIATE FOR THE PROCESS TOYAMA CHEMICAL CO., LTD. (JP) 2011-10-27 US disclosed
US-20090275757-A1 NOVEL CRYSTAL OF 3-[5-[4-(CYCLOPENTYLOXY)-2- HYDROXYBENZOYL]-2-[(3-HYDROXY-1,2-BENZISOXAZOL-6- YL)METHOXY]PHENYL]PROPIONIC ACID TOYAMA CHEMICAL CO., LTD (JP) 2009-11-05 US disclosed
US-20090275757-A1 NOVEL CRYSTAL OF 3-[5-[4-(CYCLOPENTYLOXY)-2- HYDROXYBENZOYL]-2-[(3-HYDROXY-1,2-BENZISOXAZOL-6- YL)METHOXY]PHENYL]PROPIONIC ACID TOYAMA CHEMICAL CO., LTD (JP) 2009-11-05 US disclosed
US-20090275757-A1 NOVEL CRYSTAL OF 3-[5-[4-(CYCLOPENTYLOXY)-2- HYDROXYBENZOYL]-2-[(3-HYDROXY-1,2-BENZISOXAZOL-6- YL)METHOXY]PHENYL]PROPIONIC ACID TOYAMA CHEMICAL CO., LTD (JP) 2009-11-05 US disclosed
US-20090099369-A1 PROCESS FOR PRODUCTION OF 3-[5-[4-(CYCLOPENTYLOXY)-2-HYDROXYBENZOYL]-2-[(3-OXO-2-SUBSTITUTED-2,3-DIHYDRO-1,2-BENZISOXAZOL-6-YL)METHOXY]PHENYL]PROPIONATE ESTER AND INTERMEDIATE FOR THE PROCESS TOYAMA CHEMICAL CO., LTD. (JP) 2009-04-16 US disclosed
US-20090099369-A1 PROCESS FOR PRODUCTION OF 3-[5-[4-(CYCLOPENTYLOXY)-2-HYDROXYBENZOYL]-2-[(3-OXO-2-SUBSTITUTED-2,3-DIHYDRO-1,2-BENZISOXAZOL-6-YL)METHOXY]PHENYL]PROPIONATE ESTER AND INTERMEDIATE FOR THE PROCESS TOYAMA CHEMICAL CO., LTD. (JP) 2009-04-16 US disclosed
US-20090099369-A1 PROCESS FOR PRODUCTION OF 3-[5-[4-(CYCLOPENTYLOXY)-2-HYDROXYBENZOYL]-2-[(3-OXO-2-SUBSTITUTED-2,3-DIHYDRO-1,2-BENZISOXAZOL-6-YL)METHOXY]PHENYL]PROPIONATE ESTER AND INTERMEDIATE FOR THE PROCESS TOYAMA CHEMICAL CO., LTD. (JP) 2009-04-16 US disclosed
EP-2022788-A1 NOVEL CRYSTAL OF 3-Ý5-Ý4-(CYCLOPENTYLOXY)-2- HYDROXYBENZOYL¨-2-Ý(3-HYDROXY-1,2-BENZISOXAZOL-6- YL)METHOXY¨PHENYL¨PROPIONIC ACID TOYAMA CHEMICAL CO., LTD. (JP) 2009-02-11 EP disclosed
EP-1988085-A1 PROCESS FOR PRODUCTION OF 3-[5-[4-(CYCLOPENTYLOXY)-2-HYDROXYBENZOYL]-2-[(3-HYDROXY-1,2-BEZISOXAZOL-6-YL)METHOXY]PHENYL]PROPIONATE ESTER AND INTERMEDIATE FOR THE PROCESS TOYAMA CHEMICAL CO., LTD. (JP) 2008-11-05 EP disclosed
US-20050113400-A1 Inhibitors of transcription factor AP-1; autoimmune diseases; rheumatoid arthritis; high safety and excellent pharmacokinetics in vivo SHUNICHI SHIOZAWA (JP) 2005-05-26 US disclosed
EP-1445249-A1 NOVEL BENSOPHENONE DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2004-08-11 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090275757-A1 NOVEL CRYSTAL OF 3-[5-[4-(CYCLOPENTYLOXY)-2- HYDROXYBENZOYL]-2-[(3-HYDROXY-1,2-BENZISOXAZOL-6- YL)METHOXY]PHENYL]PROPIONIC ACID HAO2, HAAO, HAO1 JUN 2611/4885UGT1A1 1369/4885UGT1A3 1356/4885
US-20090099369-A1 PROCESS FOR PRODUCTION OF 3-[5-[4-(CYCLOPENTYLOXY)-2-HYDROXYBENZOYL]-2-[(3-OXO-2-SUBSTITUTED-2,3-DIHYDRO-1,2-BENZISOXAZOL-6-YL)METHOXY]PHENYL]PROPIONATE ESTER AND INTERMEDIATE FOR THE PROCESS HPD, HAO2, HAAO JUN 2458/4885UGT1A1 347/4885UGT1A3 363/4885
US-20110263866-A1 PROCESS FOR PRODUCTION OF 3-[5-[4-(CYCLOPENTYLOXY)-2-HYDROXYBENZOYL]-2-[(3-OXO-2-SUBSTITUTED-2,3-DIHYDRO-1,2-BENZISOXAZOL-6-YL)METHOXY]PHENYL]PROPIONATE ESTER AND INTERMEDIATE FOR THE PROCESS CYP3A4, HPD, POR JUN 2439/4885UGT1A1 300/4885UGT1A3 321/4885
US-20050113400-A1 Inhibitors of transcription factor AP-1; autoimmune diseases; rheumatoid arthritis; high safety and excellent pharmacokinetics in vivo SP1, AP1G1, JUN JUN 3/4885UGT1A1 1244/4885UGT1A3 2640/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.