SCHEMBL3978037

SCHEMBL3978037

CC(C)(CN)c1cccc(O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.57
KIF11 P52732 8/20 0.47
ENPP2 Q13822 1/20 0.45
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
ALDH1A1 P00352 3/20 0.42
CA12 O43570 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CYP3A4 P08684 2/20 0.42
LMNA P02545 1/20 0.42
CA5A P35218 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
Hydrochloric Acid SCHEMBL5800348 0.98 TAAR1 (0.55) TAAR1KIF11ENPP2ESR1ESR2
SCHEMBL2593641 0.85 TAAR1 (0.70) TAAR1KIF11ESR1ESR2CYP3A4
SCHEMBL31215161 0.82 LMNA (0.44) KIF11ESR1ESR2ALDH1A1CA12
SCHEMBL825377 0.82 LMNA (0.44) KIF11ESR1ESR2ALDH1A1CA12
SCHEMBL6027444 0.82 CNR1 (0.46) KIF11ENPP2ESR1ESR2ALDH1A1
SCHEMBL3855587 0.80 SHBG (0.59) KIF11ENPP2ESR1ESR2DRD1
SCHEMBL22299378 0.79 TAAR1 (0.61) TAAR1KIF11ESR1ESR2ALDH1A1
SCHEMBL5648833 0.78 CNR1 (0.43) KIF11ESR1ESR2ALDH1A1CA12
SCHEMBL27985669 0.78 KIF11 (0.43) KIF11ESR1ESR2ALDH1A1CA12
SCHEMBL3065653 0.78 KIF11 (0.43) TAAR1KIF11ENPP2ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024150677-A1 ACTIVE-RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION 富士フイルム株式会社 2024-07-18 WO disclosed
EP-2054373-A1 IMPROVED PROCESS FOR THE PREPARATION OF RIVASTIGMINE Alembic Limited (IN) 2009-05-06 EP disclosed
CN-101277929-A Method of obtaining phenyl carbamates INTERQUIM SA (ES) 2008-10-01 CN disclosed
WO-2008020452-A1 IMPROVED PROCESS FOR THE PREPARATION OF RIVASTIGMINE ALEMBIC LIMITED (IN) 2008-02-21 WO disclosed
CN-100364961-C Phenoxyhydrindone derivatives containing nitrogen and preparation and use thereof UNIV ZHEJIANG (CN) 2008-01-30 CN disclosed
EP-1856036-A1 AN EFFICIENT METHOD FOR PREPARATION OF (S)-3-[(1-DIMETHYL AMINO)ETHYL]-PHENYL-N-ETHYL-N-METHYL-CARBAMATE Emcure Pharmaceuticals Limited (IN) 2007-11-21 EP disclosed
US-7259266-B2 Benzopyran compounds useful for treating inflammatory conditions PHARMACIA CORPORATION (US) 2007-08-21 US disclosed
WO-2006068386-A1 SYNTHETIC METHOD OF PHENYLCARBAMATE DERIVATIVE DONG KOOK PHARM. CO., LTD (KR) 2006-06-29 WO disclosed
WO-2006048720-A1 AN EFFICIENT METHOD FOR PREPARATION OF (S)-3-[(1-DIMETHYL AMINO)ETHYL]-PHENYL-N-ETHYL-N-METHYL-CARBAMATE EMCURE PHARMACEUTICALS LIMITED (IN) 2006-05-11 WO disclosed
CN-1768050-A Benzopyran compounds for the treatment of inflammation PHARMACIA CORP (US) 2006-05-03 CN disclosed
CN-1680279-A Phenoxyhydrindone derivatives containing nitrogen and preparation and use thereof UNIV ZHEJIANG (CN) 2005-10-12 CN disclosed
US-20050148627-A1 Benzopyran compounds for use in the treatment and prevention of inflammation related conditions CARTER JEFFERY (US) 2005-07-07 US disclosed
US-20050148777-A1 Benzopyran compounds useful for treating inflammatory conditions CARTER JEFFERY (US) 2005-07-07 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-20050148777-A1 Benzopyran compounds useful for treating inflammatory conditions PTGES2, PTGER2, PTGS2 TAAR1 1061/4885KIF11 4857/4885ENPP2 72/4885
US-20050148627-A1 Benzopyran compounds for use in the treatment and prevention of inflammation related conditions PTGES2, PTGER2, PTGES TAAR1 1035/4885KIF11 4869/4885ENPP2 97/4885

“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.