SCHEMBL1108352

SCHEMBL1108352

Cc1ccc(C(=O)c2ccc3oc(=O)ccc3c2)c(O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
CA9 Q16790 9/20 0.51
CA12 O43570 7/20 0.48
MCL1 Q07820 4/20 0.48
AKR1B1 P15121 3/20 0.45
KDM4E B2RXH2 3/20 0.45
CYP1A2 P05177 2/20 0.45
GLA P06280 2/20 0.45
GAA P10253 2/20 0.45
HPGD P15428 2/20 0.45
CASP1 P29466 2/20 0.45
CASP7 P55210 2/20 0.45
HIF1A Q16665 2/20 0.45
HSD17B10 Q99714 2/20 0.45
ERAP1 Q9NZ08 2/20 0.45
LMNA P02545 1/20 0.45
BCHE P06276 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL1108354 0.89 ALDH1A1 (0.62) ALDH1A1CA9CA12MCL1KDM4E
SCHEMBL1100768 0.86 CA9 (0.62) ALDH1A1CA9CA12MCL1AKR1B1
SCHEMBL194842 0.76 ALDH1A1 (1.00) ALDH1A1CA9CA12MCL1AKR1B1
SCHEMBL29412607 0.76 ALDH1A1 (1.00) ALDH1A1CA9CA12MCL1AKR1B1
SCHEMBL1100519 0.76 MAOB (0.50) ALDH1A1CA9CA12MCL1AKR1B1
SCHEMBL11350747 0.75 NPC1 (0.64) ALDH1A1CYP1A2GAAHPGDLMNA
SCHEMBL15842681 0.74 CA9 (0.59) ALDH1A1CA9CA12MCL1AKR1B1
SCHEMBL1100235 0.73 CYP2A6 (0.62) ALDH1A1CA9CA12MCL1AKR1B1
SCHEMBL1100153 0.72 CA12 (0.59) ALDH1A1CA9CA12MCL1AKR1B1
SCHEMBL30388813 0.72 CA12 (0.59) ALDH1A1CA9CA12MCL1AKR1B1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8017789-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]proprionate ester and intermediate for the process TOYAMA CHEMICAL CO., LTD. (JP) 2011-09-13 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

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

For each of this compound's patents that has machine-readable text (2 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-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 ALDH1A1 266/4885CA9 1255/4885CA12 3614/4885
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 ALDH1A1 319/4885CA9 1394/4885CA12 3519/4885

“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.