SCHEMBL6660032

SCHEMBL6660032

COCOc1ccc(C=CC(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.67
ATM Q13315 1/20 0.67
GSK3B P49841 1/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HCAR2 Q8TDS4 2/20 0.50
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50
F3 P13726 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
CA12 O43570 1/20 0.50
AKR1B10 O60218 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
ESR1 P03372 1/20 0.50
CA3 P07451 1/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL6660027 1.00 THRB (0.67) THRBATMGSK3BNPC1RAB9A
SCHEMBL5750014 0.88 THRB (0.59) THRBATMGSK3BNPC1RAB9A
SCHEMBL7663462 0.88 THRB (0.59) THRBATMGSK3BNPC1RAB9A
SCHEMBL20943613 0.87 GSK3B (0.51) THRBATMGSK3BNPC1RAB9A
SCHEMBL20943614 0.87 GSK3B (0.51) THRBATMGSK3BNPC1RAB9A
SCHEMBL28310063 0.85 THRB (0.65) THRBATMGSK3BKDM4EPOLB
SCHEMBL15091403 0.85 CA12 (0.60) THRBATMGSK3BKDM4EALDH1A1
SCHEMBL15091406 0.85 CA12 (0.60) THRBATMGSK3BKDM4EALDH1A1
SCHEMBL13223567 0.83 MAPT (0.74) NPC1RAB9AALDH1A1F3MAPT
SCHEMBL691132 0.83 NPC1 (0.69) THRBATMNPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040254241-A1 Enzyme inhibitor; cognition activators KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-12-16 US disclosed
EP-1431280-A1 ARYL SULFAMATE DERIVATIVES Kyowa Hakko Kogyo Co., Ltd (JP) 2004-06-23 EP disclosed
EP-0628311-B1 Xanthine-Derivatives as Antidepressants KYOWA HAKKO KOGYO KK (JP) 2002-04-24 EP disclosed
EP-0590919-B1 Therapeutic agents for parkinson's disease KYOWA HAKKO KOGYO KK (JP) 1999-12-29 EP disclosed
EP-0565377-B1 Therapeutic agents for use in the treatment of Parkinson's Disease KYOWA HAKKO KOGYO KK (JP) 1998-01-07 EP disclosed
US-5587378-A ADMINISTERING A SUBSTITUTED XANTHINE COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-12-24 US disclosed
US-5543415-A ADMINISTERING A XANTHINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-08-06 US disclosed
US-5484920-A XANTHINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-01-16 US disclosed
EP-0628311-A1 ANTIDEPRESSANT KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-12-14 EP disclosed
EP-0590919-A1 Therapeutic agents for parkinson's disease KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-04-06 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 (1 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-20040254241-A1 Enzyme inhibitor; cognition activators SULT1A1, STS, CYP26A1 THRB 1333/4885ATM 3507/4885GSK3B 2607/4885

“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.