SCHEMBL3958982

SCHEMBL3958982

CC(C)(C)OC(=O)Cn1c(C(=O)O)cc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.56
ALDH1A1 P00352 3/20 0.53
CYP1A2 P05177 1/20 0.53
POLB P06746 1/20 0.53
MCL1 Q07820 4/20 0.50
PLA2G4A P47712 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
DAO P14920 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 1/20 0.46
FDPS P14324 1/20 0.45
GPR35 Q9HC97 1/20 0.44
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
CNR2 P34972 1/20 0.43

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
SCHEMBL19410240 0.89 KMT2A (0.52) CCR2ALDH1A1CYP1A2POLBMCL1
SCHEMBL7429634 0.85 MEN1 (0.67) ALDH1A1POLBKDM4EMEN1KMT2A
SCHEMBL2476665 0.85 CCR2 (0.60) CCR2ALDH1A1CYP1A2POLBMCL1
SCHEMBL3960725 0.84 KMT2A (0.54) CCR2ALDH1A1CYP1A2POLBPLA2G4A
SCHEMBL7682472 0.84 GPR35 (0.48) CCR2ALDH1A1PLA2G4AKDM4EMEN1
Hydrochloric Acid SCHEMBL9085791 0.83 ALDH1A1 (0.59) CCR2ALDH1A1CYP1A2POLBMCL1
SCHEMBL4706867 0.83 KDM4E (0.53) ALDH1A1CYP1A2POLBKDM4EMEN1
SCHEMBL7684876 0.83 CCR2 (0.51) CCR2ALDH1A1PLA2G4AKDM4EGPR35
SCHEMBL5198084 0.82 KDM4E (0.51) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL7256497 0.82 MEN1 (0.63) CCR2ALDH1A1CYP1A2POLBMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3679023-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2022-11-02 EP claimed
EP-3411455-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-10-21 EP claimed
EP-2772483-B1 4-AMINOCARBAZOLE COMPOUND AND USE OF SAME TOSOH CORP (JP) 2017-03-29 EP claimed
EP-1451185-B1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2014-08-06 EP disclosed
WO-2009154207-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME 出光興産株式会社 (JP) 2009-12-23 WO disclosed
US-20090069565-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-03-12 US disclosed
CN-1283638-C Indole-2-formamide compounds as factor Xa inhibitors AVENTIS PHARMA GMBH (DE) 2006-11-08 CN disclosed
US-6906084-B2 Indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-14 US disclosed
CN-1589270-A Indole-2-formamide compounds as factor Xa inhibitors AVENTIS PHARMA GMBH (DE) 2005-03-02 CN disclosed
US-20050043302-A1 New indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-02-24 US disclosed
EP-1451185-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2004-09-01 EP disclosed
US-6184244-B1 C-terminal modified (N-substituted)-2-indolyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. 2001-02-06 US disclosed
WO-2001000658-A1 C-TERMINAL MODIFIED (N-SUBSTITUTED)-2-INDOLYLCARBONYLDIPEPTIDES AS INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2001-01-04 WO disclosed
EP-0518731-B1 2-(Indol-2-yl-carbonylamino)-thiazole derivatives, their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1998-08-26 EP disclosed
US-5760032-A GASTROINTESTINAL DISORDERS AND NERVOUS SYSTEM DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-06-02 US disclosed
US-5656648-A TREATMENT OF PATHOLOGIES NECESSITATING STIMULATION OF CHOLECYSTOKININ-A RECEPTORS BY TOTAL OR PARTIAL AGONIST EFFECT SANOFI (FR) 1997-08-12 US disclosed
EP-0776892-A1 THIENYLAZOLE COMPOUND AND THIENOTRIAZOLODIAZEPINE COMPOUND YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-06-04 EP disclosed
US-5380736-A Cholecystokinin and gastric antagonist ELF SANOFI (FR) 1995-01-10 US disclosed
US-5314889-A Hormone antagonists ELF SANOFI (FR) 1994-05-24 US disclosed
EP-0518731-A1 Heterocyclic derivatives of substituted 2-acylamino 5-thiazole, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1992-12-16 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-20090069565-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS F12, F5, F2 CCR2 1071/4885ALDH1A1 2106/4885CYP1A2 203/4885
US-20050043302-A1 New indole derivatives as factor Xa inhibitors F12, F5, F2 CCR2 1193/4885ALDH1A1 1808/4885CYP1A2 213/4885

“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.