SCHEMBL723360

SCHEMBL723360

C=CCc1[c]ccc(CC=C)c1CC=C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL5889001 0.78 GABRA1 (0.48) GABRA1GABRB2MAPT
SCHEMBL393930 0.78 GABRA1 (0.40) GABRA1GABRB2MAPT
SCHEMBL4790115 0.78 IMPDH2 (0.33) GABRA1GABRB2
SCHEMBL299415 0.78 SRD5A1 (0.39) GABRA1GABRB2CYP3A4MAPT
SCHEMBL15824281 0.78 GABRA1 (0.41) GABRA1GABRB2
SCHEMBL8623061 0.74
SCHEMBL176260 0.73 GABRA1 (0.42) GABRA1GABRB2MAPT
SCHEMBL10715540 0.73 GABRA1 (0.31) GABRA1GABRB2
SCHEMBL8677546 0.73 AURKA (0.35) GABRA1GABRB2MAPT
SCHEMBL3410411 0.73 ADRB2 (0.34) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180264448-A1 NI(0) CATALYSTS NATIONAL SCIENCE FOUNDATION 2018-09-20 US claimed
EP-2327748-B1 Water-based ink for ink-jet recording, ink cartridge, and ink-jet recording apparatus BROTHER IND LTD (JP) 2012-03-21 EP claimed
US-20090253799-A1 DIVALENT HYDRAZIDE COMPOUND CONJUGATES FOR INHIBITING CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-10-08 US claimed
US-20080177108-A1 Phenyloxyaniline derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-24 US claimed
US-6462034-B1 MULTIBINDING COMPOUNDS CONTAINING A SYMETRICAL DIAMINOTETRA-ETHERDODECANE RING WITH TWO SECONDARY AMIDE AND ADDITIONAL SUBSTITUENTS; VOLTAGE GATED SODIUM CHANNEL MODULATORS; LONG DURATION THERAVANCE, INC. 2002-10-08 US claimed
US-5583146-A Heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-10 US claimed
US-5308600-A Polyether emulsifier HOECHST AKTIENGESELLSCHAFT (DE) 1994-05-03 US claimed
EP-0376138-B1 Copolymers, their mixtures with polymers of esters of (meth)acrylic acid, and their use in improving the flowability of crude oil at a low temperature HOECHST AG (DE) 1994-01-19 EP claimed
EP-0376138-A2 Copolymers, their mixtures with polymers of esters of (meth)acrylic acid, and their use in improving the flowability of crude oil at a low temperature HOECHST AKTIENGESELLSCHAFT (DE) 1990-07-04 EP claimed
US-4885392-A Derivatives of 1,3-bissubstituted 2-propanol containing amino groups, methods for their preparation and their use HOECHST AG (DE) 1989-12-05 US claimed
US-4769167-A Aqueous functional fluids based on polymers HOECHST AKTIENGESELLSCHAFT (DE) 1988-09-06 US claimed
EP-0141321-B1 ORGANIC SILICON COMPOUNDS AND TEXTILE FIBRE PREPARATIONS CONTAINING THEM Th. Goldschmidt AG (DE) 1988-06-01 EP claimed
EP-0121230-B1 COPOLYMERS CONTAINING ESTERS OF CROTONIC ACID, PROCESS FOR THEIR PREPARATION AND THEIR USE AS THICKENERS IN AQUEOUS SYSTEMS AND IN DRESSINGS HOECHST AKTIENGESELLSCHAFT (DE) 1987-01-07 EP claimed
US-4569965-A Crotonate-containing copolymers, processes for their preparation and their use as thickeners in aqueous systems and as sizing agents HOECHST AKTIENGESELLSCHAFT (DE) 1986-02-11 US claimed
JP-6049153-A None JP disclosed
CN-114409602-B Method for synthesizing alpha-keto acid by using oxalyl chloride and Grignard reagent as raw materials 武汉大学 2024-01-30 CN disclosed
EP-2433987-B1 COMPOSITION FOR PREPARING EMULSION OR MICROEMULSION FORMULATIONS NIPPON SODA CO (JP) 2016-06-29 EP disclosed
EP-0025850-A2 Process for the polymerization of cyclic polyhalophosphazenes using a catalyst composition of boron trihalide and oxygenated phosphorus compounds THE FIRESTONE TIRE & RUBBER COMPANY (US) 1981-04-01 EP disclosed
US-4226840-A Process for the polymerization of cyclic polyhalophosphazenes using a catalyst composition of boron trihalide and oxygenated phosphorus compounds THE FIRESTONE TIRE & RUBBER COMPANY (US) 1980-10-07 US disclosed
EP-0014772-A1 Process for the preparation of powdery coating compositions based on polyamides containing at least 10 aliphatically bound carbon atoms for each carbonamide group CHEMISCHE WERKE HÜLS AG (DE) 1980-09-03 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-20090253799-A1 DIVALENT HYDRAZIDE COMPOUND CONJUGATES FOR INHIBITING CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, SLC26A3 GABRA1 1738/4885GABRB2 1196/4885CYP1A2 4859/4885
US-20180264448-A1 NI(0) CATALYSTS SOD1, SCO2, CNOT9 GABRA1 4575/4885GABRB2 4148/4885CYP1A2 2880/4885
US-20080177108-A1 Phenyloxyaniline derivatives PNMT, PAH, NAT1 GABRA1 1224/4885GABRB2 1078/4885CYP1A2 29/4885

“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.