SCHEMBL4701977

SCHEMBL4701977

O=C(O)C1=CC2CCC1CC2

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.34
MAPT P10636 1/20 0.33
OAT P04181 1/20 0.32
KMO O15229 1/20 0.32
AKR1C3 P42330 1/20 0.31
AKR1C1 Q04828 1/20 0.31
GPR35 Q9HC97 2/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL218876 0.86 CYP19A1 (0.36) HCAR2MAPTOATKMOAKR1C3
SCHEMBL5057907 0.86 CYP19A1 (0.36) HCAR2MAPTOATKMOAKR1C3
SCHEMBL28451456 0.86 CYP19A1 (0.36) HCAR2MAPTOATKMOAKR1C3
SCHEMBL4297167 0.80 CYP19A1 (0.36) AKR1C3AKR1C1
SCHEMBL5961832 0.80 MAPT (0.35) MAPTAKR1C3AKR1C1
SCHEMBL4315575 0.80 CYP19A1 (0.33) AKR1C3AKR1C1
Formic Acid SCHEMBL8030844 0.80 CYP19A1 (0.33) AKR1C3AKR1C1
SCHEMBL4700295 0.79 CYP19A1 (0.31) AKR1C3AKR1C1
SCHEMBL11910914 0.78
Maleic Anhydride SCHEMBL8030517 0.74 CYP19A1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021110720-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2021-06-10 WO disclosed
US-20160251354-A1 METHODS OF PREPARING INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2016-09-01 US disclosed
EP-2861574-A1 NEW BICYCLIC THIOPHENYLAMIDE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2015-04-22 EP disclosed
WO-2013189841-A1 NEW BICYCLIC THIOPHENYLAMIDE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2013-12-27 WO disclosed
US-8232360-B2 Stereoregular ROMP polymers RESEARCH FOUNDATION OF STATE UNIVERSITY OF N.Y. (US) 2012-07-31 US disclosed
US-8232360-B2 Stereoregular ROMP polymers RESEARCH FOUNDATION OF STATE UNIVERSITY OF N.Y. (US) 2012-07-31 US disclosed
US-20110251363-A1 STEREOREGULAR ROMP POLYMERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-10-13 US disclosed
US-20110251363-A1 STEREOREGULAR ROMP POLYMERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-10-13 US disclosed
EP-1467979-B1 FUSED HETEROCYCLIC COMPOUNDS AND ANALOGS THEREOF MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2008-08-13 EP disclosed
US-7342034-B2 Fused heterocyclic compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-11 US disclosed
US-7291637-B2 Fused heterocyclic compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US disclosed
US-7291637-B2 Fused heterocyclic compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US disclosed
US-7291637-B2 Fused heterocyclic compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US disclosed
US-7087636-B2 Fused heterocyclic compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-08 US disclosed
EP-1467979-A4 FUSED HETEROCYCLIC COMPOUNDS AND ANALOGS THEREOF: MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2006-03-15 EP disclosed
US-20060020002-A1 Fused heterocyclic compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2006-01-26 US disclosed
US-20050187273-A1 Fused heterocyclic compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E (US) 2005-08-25 US disclosed
EP-1467979-A2 FUSED HETEROCYCLIC COMPOUNDS AND ANALOGS THEREOF: MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2004-10-20 EP disclosed
US-20030181728-A1 Fused heterocyclic compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2003-09-25 US disclosed
WO-2003053358-A2 FUSED HETEROCYCLIC COMPOUNDS AND ANALOGS THEREOF: MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO 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 (5 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-20060020002-A1 Fused heterocyclic compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NR5A2, NR5A1 HCAR2 109/4885MAPT 4333/4885OAT 3515/4885
US-20050187273-A1 Fused heterocyclic compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NR5A2, NR5A1 HCAR2 109/4885MAPT 4333/4885OAT 3515/4885
US-20030181728-A1 Fused heterocyclic compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NR5A2, NR5A1 HCAR2 109/4885MAPT 4333/4885OAT 3515/4885
US-20160251354-A1 METHODS OF PREPARING INHIBITORS OF INFLUENZA VIRUSES REPLICATION ZC3HAV1, ZC3HAV1L, POLR2H HCAR2 4796/4885MAPT 3742/4885OAT 1519/4885
US-20110251363-A1 STEREOREGULAR ROMP POLYMERS PCBP1, PARG, OSGEP HCAR2 2409/4885MAPT 1131/4885OAT 3700/4885

“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.