SCHEMBL1100519

SCHEMBL1100519

O=C(c1ccc2oc(=O)ccc2c1)c1ccc(OC2CCCC2)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.50
JUN P05412 1/20 0.46
UGT1A1 P22309 1/20 0.46
UGT1A3 P35503 1/20 0.46
UGT1A8 Q9HAW9 1/20 0.46
MAOA P21397 2/20 0.45
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GLA P06280 2/20 0.42
GAA P10253 2/20 0.42
CA9 Q16790 6/20 0.42
CA12 O43570 4/20 0.42
MCL1 Q07820 2/20 0.42
CYP2A6 P11509 1/20 0.40
MEN1 O00255 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PKM P14618 1/20 0.39
SNCA P37840 1/20 0.39

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
SCHEMBL1100768 0.80 CA9 (0.62) MAOBMAOAKMT2AKDM4EALDH1A1
SCHEMBL28135822 0.80 MAOB (0.52) MAOBMAOAKMT2AKDM4EALDH1A1
SCHEMBL2961235 0.76 JUN (0.43) MAOBJUNUGT1A1UGT1A3UGT1A8
SCHEMBL1108352 0.76 ALDH1A1 (0.59) MAOBKMT2AKDM4EALDH1A1GLA
SCHEMBL16674816 0.75 MAOA (0.68) MAOBMAOAKMT2AKDM4EALDH1A1
SCHEMBL28918559 0.74 KDM4E (0.61) MAOBMAOAKMT2AKDM4EALDH1A1
SCHEMBL9002504 0.74 HPGD (0.59) MAOBJUNUGT1A1UGT1A3UGT1A8
SCHEMBL1100077 0.74 PARP10 (0.43) MAOBJUNUGT1A1UGT1A3UGT1A8
7-Cyclohexyloxycoumarin SCHEMBL14802688 0.74 MAOA (0.67) MAOBMAOAKMT2AKDM4EALDH1A1
7-Cyclohexyloxycoumarin SCHEMBL28918560 0.73 KDM4E (0.63) MAOBMAOAKMT2AKDM4EALDH1A1

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 17 patents. 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
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-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-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-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
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-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

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 MAOB 283/4885JUN 2458/4885UGT1A1 347/4885
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 MAOB 149/4885JUN 2439/4885UGT1A1 300/4885

“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.