SCHEMBL460389

SCHEMBL460389

CCc1cccc(CO)c1CC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.52
GABRB2 P47870 4/20 0.52
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
TAAR1 Q96RJ0 2/20 0.39
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
HTR1A P08908 1/20 0.39
APOBEC3G Q9HC16 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KCNH2 Q12809 1/20 0.36
SCN5A Q14524 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL16961004 0.95 GABRA1 (0.50) GABRA1GABRB2PDCD1CD274CYP4F2
SCHEMBL17417172 0.91 GABRA1 (0.52) GABRA1GABRB2PDCD1CD274TAAR1
SCHEMBL245773 0.87 GABRA1 (0.57) GABRA1GABRB2TAAR1HTR1AKCNH2
SCHEMBL320050 0.85 GABRA1 (0.56) GABRA1GABRB2PDCD1CD274TAAR1
SCHEMBL7643320 0.85 GABRA1 (0.39) GABRA1GABRB2PDCD1CD274CYP4F2
Methane SCHEMBL28776675 0.85 GABRA1 (0.55) GABRA1GABRB2TAAR1HTR1AKCNH2
Ammonia Solution, Strong SCHEMBL27320869 0.85 GABRA1 (0.55) GABRA1GABRB2TAAR1HTR1AKCNH2
SCHEMBL31498538 0.85 GABRA1 (0.55) GABRA1GABRB2TAAR1HTR1AKCNH2
Methylamine SCHEMBL27545014 0.85 GABRA1 (0.55) GABRA1GABRB2TAAR1HTR1AALDH1A1
SCHEMBL3811653 0.85 GABRA1 (0.41) GABRA1GABRB2PDCD1CD274CYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009053709-A1 PROCESS FOR THE PREPARATION OF MEDETOMIDINE NORBROOK LABORATORIES LIMITED (GB) 2009-04-30 WO claimed
CN-107709224-A The silane-modified fluid reduced for MEMS static friction 追踪有限公司 2018-02-16 CN disclosed
CN-106905462-A A kind of dispersant and preparation method thereof 淄博职业学院 2017-06-30 CN disclosed
US-9540331-B2 Preparation method of dexmedetomidine intermediate TIANJIN WEIJIE PHARMACEUTICAL CO., LTD (CN) 2017-01-10 US disclosed
US-20160272594-A1 PREPARATION METHOD OF DEXMEDETOMIDINE INTERMEDIATE TIANJIN WEIJIE PHARMACEUTICAL CO., LTD (CN) 2016-09-22 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-8809462-B2 Ethylene-α-olefin copolymer, molded article, catalyst for copolymerization, and method for producing an ethylene-α-olefin copolymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-08-19 US disclosed
CN-101291901-B Polyvinyl ether compound IDEMITSU KOSAN CO 2013-03-13 CN disclosed
US-20120065351-A1 ETHYLENE-ALPHA-OLEFIN COPOLYMER AND MOLDED ARTICLE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 US disclosed
US-20120065346-A1 ETHYLENE-ALPHA-OLEFIN COPOLYMER, MOLDED ARTICLE, CATALYST FOR COPOLYMERIZATION, AND METHOD FOR PRODUCING AN ETHYLENE-ALPHA-OLEFIN COPOLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 US disclosed
CN-1088050-C Alkylation process using zeolite beta EXXON MOBILE CHEMICAL PATENTS (US) 2002-07-24 CN disclosed
CN-1239471-A Alkylation process using zeolite beta EXXON CHEMICAL PATENTS INC (US) 1999-12-22 CN disclosed
US-5149884-A Oxidative dehydrogenation of aromatic or aliphatic alcohols in gas phase BASF AKTIENGESELLSCHAFT (DE) 1992-09-22 US disclosed
EP-0244632-B1 TUBE BUNDLE REACTOR, ITS USE IN EXOTHERMAL ORGANIC REACTIONS AND PROCESS FOR THE PREPARATION OF KETONES AND ALDEHYDES BASF Aktiengesellschaft (DE) 1991-02-20 EP disclosed
EP-0245854-B1 PROCESS FOR PRODUCING OLEFIN POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-09-20 EP disclosed
US-4806433-A ORGANOTITANIUM, ALUMINUM, MAGNESIUM COMPONENTS FOR COORDINATION CATALYSTS; ETHER, ESTER TREATMENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-02-21 US disclosed
EP-0245854-A1 Process for producing olefin polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-11-19 EP disclosed
EP-0244632-A2 Tube bundle reactor, its use in exothermal organic reactions and process for the preparation of ketones and aldehydes BASF Aktiengesellschaft (DE) 1987-11-11 EP disclosed
US-4306083-A Multiphase oxidation of alcohol to aldehyde THE DOW CHEMICAL COMPANY (US) 1981-12-15 US disclosed
US-4224254-A OXIDATION OF AROMATIC ALCOHOLS, SILVER CATALYST BASF AKTIENGESELLSCHAFT (DE) 1980-09-23 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 (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-20160272594-A1 PREPARATION METHOD OF DEXMEDETOMIDINE INTERMEDIATE AVPR2, TET1, TET2 GABRA1 486/4885GABRB2 279/4885PDCD1 1963/4885

“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.