SCHEMBL308889

SCHEMBL308889

Cc1ccc(-c2cccc(C)c2C)cc1C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.44
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
NUDT1 P36639 1/20 0.40
CD274 Q9NZQ7 2/20 0.40
PTGS2 P35354 2/20 0.39
CTSA P10619 1/20 0.38
TRPA1 O75762 1/20 0.38
ATM Q13315 1/20 0.38
PDCD1 Q15116 1/20 0.38
PTGS1 P23219 1/20 0.38
TSHR P16473 1/20 0.38
ACHE P22303 1/20 0.38
TLR8 Q9NR97 1/20 0.38
DRD2 P14416 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NPC1 O15118 1/20 0.37
FFAR1 O14842 1/20 0.37

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
SCHEMBL3692592 0.84 TRPA1 (0.46) NUDT1CD274PTGS2TRPA1ATM
SCHEMBL11203627 0.82 PTGS2 (0.41) HTR7PTGS2PTGS1TSHRALDH1A1
SCHEMBL9419202 0.82 HTR7 (0.50) HTR7TRPA1TSHRACHEALDH1A1
SCHEMBL10304805 0.82 PTGS2 (0.46) HTR7BRD4CREBBPCD274PTGS2
SCHEMBL15593264 0.82 HTR7 (0.41) HTR7BRD4CREBBPCD274PTGS2
SCHEMBL27449014 0.82 TLR8 (0.57) TRPA1ATMTLR8ALDH1A1
SCHEMBL31110225 0.81 TRPA1 (0.44) NUDT1CD274PTGS2TRPA1ATM
SCHEMBL17125584 0.81 S1PR1 (0.42) HTR7BRD4CREBBPNUDT1ALDH1A1
SCHEMBL17125585 0.81 S1PR1 (0.42) HTR7BRD4CREBBPNUDT1ALDH1A1
SCHEMBL16453884 0.80 HTR7 (0.40) HTR7BRD4CREBBPCD274PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10040732-B2 Process for the production of biaryl compounds DSM IP ASSETS B.V. (NL) 2018-08-07 US disclosed
EP-3169651-B1 PROCESS FOR THE PRODUCTION OF BIARYL COMPOUNDS DSM IP ASSETS BV (NL) 2018-06-20 EP disclosed
US-20170210681-A1 PROCESS FOR THE PRODUCTION OF BIARYL COMPOUNDS DSM IP ASSETS B.V. (NL) 2017-07-27 US disclosed
WO-2017102944-A1 PROCESS FOR THE PRODUCTION OF BIARYL COMPOUNDS DSM IP ASSETS B.V. (NL) 2017-06-22 WO disclosed
EP-3169651-A1 PROCESS FOR THE PRODUCTION OF BIARYL COMPOUNDS DSM IP Assets B.V. (NL) 2017-05-24 EP disclosed
CN-104193580-B Separating and purifying method for tetramethyl biphenyl isomer mixture 哈尔滨工业大学(威海) 2017-02-15 CN disclosed
US-9522857-B2 3,3′,4,4′-tetraalkyl cyclohexylbenzene and method for producing same UBE INDUSTRIES, LTD. (JP) 2016-12-20 US disclosed
US-9469621-B2 Method for producing multisubstituted biphenyl compound and solid catalyst to be used therein KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-10-18 US disclosed
WO-2016008931-A1 PROCESS FOR THE PRODUCTION OF BIARYL COMPOUNDS DSM IP ASSETS B.V. (NL) 2016-01-21 WO disclosed
US-20150274689-A1 METHOD FOR PRODUCING MULTISUBSTITUTED BIPHENYL COMPOUND AND SOLID CATALYST TO BE USED THEREIN UBE CORPORATION (JP) 2015-10-01 US disclosed
US-20130202871-A1 POLYIMIDE SHEET AND MANUFACTURING METHOD THEREOF E I DU PONT DE NEMOURS AND COMPANY (US) 2013-08-08 US disclosed
US-8093348-B1 Polyimides derived from novel asymmetric dianhydrides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 2012-01-10 US disclosed
US-7425650-B1 Synthesis of asymmetric tetracarboxylic acids and corresponding dianhydrides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 2008-09-16 US disclosed
US-7381849-B1 Synthesis of asymmetric tetracarboxylic acids and dianhydrides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2008-06-03 US disclosed
US-6914152-B2 Method for producing biphenyl and its derivatives UBE INDUSTRIES, LTD. (JP) 2005-07-05 US disclosed
US-20030088120-A1 Method for producing biphenyl and its derivatives UBE INDUSTRIES, LTD. (JP) 2003-05-08 US disclosed
US-4937389-A HEATING, MIXING WITH METHANOL, COOLING, CRYSTALLIZATION AMOCO CORPORATION (US) 1990-06-26 US disclosed
EP-0349218-A2 Separation of 3,3,',4,4'- and 2,3,3',4'-tetramethyldiphenyl ether AMOCO CORPORATION (US) 1990-01-03 EP disclosed
US-4294976-A DEHYDROGENATIVE DIMERIZATION IN THE PRESENCE OF OXALIC ACID AND A PALLADIUM CATALYST UBE INDUSTRIES, LTD. (JP) 1981-10-13 US disclosed
US-3940426-A CRYSTALLIZATION OF ISOMERS UBE INDUSTRIES, LTD. (JA) 1976-02-24 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 (4 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-20170210681-A1 PROCESS FOR THE PRODUCTION OF BIARYL COMPOUNDS DDT, COASY, ALDH3A1 HTR7 3874/4885BRD4 1322/4885CREBBP 4301/4885
US-20030088120-A1 Method for producing biphenyl and its derivatives AOC1, AOC3, DDT HTR7 2300/4885BRD4 352/4885CREBBP 3547/4885
US-10040732-B2 Process for the production of biaryl compounds DDT, COASY, ALDH3A1 HTR7 3874/4885BRD4 1322/4885CREBBP 4301/4885
US-20150274689-A1 METHOD FOR PRODUCING MULTISUBSTITUTED BIPHENYL COMPOUND AND SOLID CATALYST TO BE USED THEREIN DDT, CYP1A1, CYP1B1 HTR7 3016/4885BRD4 116/4885CREBBP 1748/4885

“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.