SCHEMBL201782

SCHEMBL201782

[CH2]Cc1c(C)cccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.43
CYP1A2 P05177 2/20 0.43
ACHE P22303 2/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 4/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
TAAR1 Q96RJ0 2/20 0.38
HTR1D P28221 1/20 0.36
TRPA1 O75762 2/20 0.36
CD44 P16070 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
AR P10275 1/20 0.32
SCN4A P35499 2/20 0.32
MAOA P21397 1/20 0.32

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
SCHEMBL11461214 0.85 TAAR1 (0.37) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL14127124 0.83 TAAR1 (0.41) ALDH1A1TAAR1LMNA
SCHEMBL6739042 0.83 CD44 (0.50) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL158976 0.78 CYP2A6 (0.39) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL6739582 0.78 TSHR (0.54) CYP1A2TSHRALDH1A1CA1CA2
SCHEMBL27741598 0.78 ALDH1A1 (0.45) CYP2A6CYP1A2TSHRALDH1A1TDP1
SCHEMBL5346545 0.77 CYP2A6 (0.43) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL198681 0.76 CYP2A6 (0.38) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL5250399 0.75 TAAR1 (0.50) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL8093986 0.75 CYP2A6 (0.47) CYP2A6CYP1A2ACHETSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2012-04-19 US claimed
US-7304086-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2007-12-04 US claimed
EP-1663962-A4 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORP (US) 2007-08-22 EP claimed
JP-2007503392-A 2007-02-22 JP claimed
EP-1663962-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2006-06-07 EP claimed
US-20050054651-A1 Compositions and methods for the treatment of disease associated with Trp-p8 expression DENDREON CORPORATION (US) 2005-03-10 US claimed
WO-2005020897-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2005-03-10 WO claimed
EP-3050889-B1 ALKYL TIN COMPOUND ASAHI CHEMICAL IND (JP) 2020-10-28 EP disclosed
CN-105579461-B Alkyl tin compound 旭化成株式会社 2020-02-14 CN disclosed
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
CN-109689765-A Crystal nucleating agent for polyolefin resin, method for producing crystal nucleating agent for polyolefin resin, and method for improving fluidity of crystal nucleating agent for polyolefin resin 新日本理化株式会社 2019-04-26 CN disclosed
CN-109563308-A The modification method of the mobility of polyolefin-based resins crystallization nucleating agent, the manufacturing method of polyolefin-based resins crystallization nucleating agent and polyolefin-based resins crystallization nucleating agent 新日本理化株式会社 2019-04-02 CN disclosed
CN-105764885-B The production method of acid and free-radical generating agent and acid and free radical 富士胶片和光纯药株式会社 2018-11-09 CN disclosed
US-6057336-A ANTIINFLAMMATORY AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-02 US disclosed
EP-0565488-B1 Fluorine free titanocenes and their application CIBA GEIGY AG (CH) 1999-04-21 EP disclosed
WO-1999018074-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Britol-Myers Squibb Pharma Company (US) 1999-04-15 WO disclosed
US-5354729-A Controlling weeds at low dosage; nonphytotoxic SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-10-11 US disclosed
US-5340701-A Photoinitiators CIBA-GEIGY CORPORATION (US) 1994-08-23 US disclosed
EP-0579469-A2 N-acyldihydroquinoline derivatives as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-01-19 EP disclosed
EP-0565488-A1 Fluorine free titanocenes and their application CIBA-GEIGY AG (CH) 1993-10-13 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 (3 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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 CYP2A6 375/4885CYP1A2 360/4885ACHE 4671/4885
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 CYP2A6 3970/4885CYP1A2 4739/4885ACHE 4294/4885
US-20050054651-A1 Compositions and methods for the treatment of disease associated with Trp-p8 expression TRPC4, TRPC3, TRPC1 CYP2A6 3970/4885CYP1A2 4739/4885ACHE 4294/4885

“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.