SCHEMBL222225

SCHEMBL222225

CC(C)c1cccc(C(C)C)c1N1[C]N(c2c(C(C)C)cccc2C(C)C)C=C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRB2 P47870 2/20 0.43
TSHR P16473 2/20 0.43
FAAH O00519 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
GABRB1 P18505 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2C P28335 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
HTR2B P41595 1/20 0.43
GABRA2 P47869 1/20 0.43

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
SCHEMBL1007092 0.76 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL2802958 0.76 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL15880531 0.75 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL220287 0.72 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL14225854 0.72 DPP4 (0.43) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL28548143 0.71 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL15826552 0.71 FAAH (0.43) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL15826551 0.71 FAAH (0.43) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL28857548 0.71 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL1155762 0.70 CYP2A6 (0.38) TSHRCA1CA2CYP1A2DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3016991-B1 LIQUID MOLDING COMPOSITIONS MATERIA INC (US) 2024-06-12 EP claimed
EP-4139281-B1 SULFUR EXTRUSION FROM DISULFIDES BY CARBENES UNIV HEIDELBERG (DE) 2024-05-08 EP claimed
EP-4353718-A1 METHOD FOR PRODUCING DIHYDROPYRIDAZINE-3,5-DIONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-04-17 EP claimed
US-20240116039-A1 RUTHENIUM-BASED METATHESIS CATALYSTS, PRECURSORS FOR THEIR PREPARATION AND THEIR USE UMICORE AG & CO. KG (DE) 2024-04-11 US claimed
US-11912731-B2 Use of silylated formiates as hydrosilane equivalents COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2024-02-27 US claimed
US-20230416178-A1 FORMATION OF P-ALKYLPHENOLS BASED ON INTERMOLECULAR REACTION OF ETHYNE WITH 2-ALKYLFURANS IN THE PRESENCE OF GOLD(I) COMPLEXES DSM IP ASSETS B.V. (NL) 2023-12-28 US claimed
EP-3256505-B1 CYCLIC OLEFIN RESIN COMPOSITIONS COMPRISING FUNCTIONAL ELASTOMERS MATERIA INC (US) 2023-11-29 EP claimed
EP-4267591-A2 ORGANOMETALLIC COMPOUNDS Umicore AG & Co. KG (DE) 2023-11-01 EP claimed
EP-3805337-B1 INK COMPOSITIONS AND QUANTUM DOT POLYMER COMPOSITE PATTERN PREPARED FROM THE SAME SAMSUNG DISPLAY CO LTD (KR) 2023-08-09 EP claimed
US-20230149911-A1 RUTHENIUM-BASED METATHESIS CATALYSTS, PRECURSORS FOR THEIR PREPARATION AND THEIR USE UMICORE AG & CO. KG (DE) 2023-05-18 US claimed
US-7504465-B2 Linear functional copolymers of ethylene with precise and minimum run length distributions and methods of making thereof EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2009-03-17 US claimed
US-20090062475-A1 Production of elastomeric functionalized olefin polymers EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2009-03-05 US claimed
US-20080312393-A1 Linear functional copolymers of ethylene with precise and minimum run length distributions and methods of making thereof BAUGH LISA S 2008-12-18 US claimed
US-20080289248-A1 IMMOBILIZED ESTERIFICATION CATALYSTS FOR PRODUCING FATTY ACID ALKYL ESTERS SOUTHERN ILLINOIS UNIVERSITY CARBONDALE (US) 2008-11-27 US claimed
EP-1704172-A1 LINEAR FUNCTIONAL COPOLYMERS OF ETHYLENE WITH PRECISE AND MINIMUM RUN LENGTH DISTRIBUTIONS AND METHODS OF MAKING THEREOF ExxonMobil Research and Engineering Company (US) 2006-09-27 EP claimed
US-20060128935-A1 Manufacture of macrocyclic polyester oligomers E. I. DU PONT DE NEMOURS AND COMPANY 2006-06-15 US claimed
WO-2005063834-A1 LINEAR FUNCTIONAL COPOLYMERS OF ETHYLENE WITH PRECISE AND MINIMUM RUN LENGTH DISTRIBUTIONS AND METHODS OF MAKING THEREOF EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2005-07-14 WO claimed
US-20050137369-A1 Linear functional copolymers of ethylene with precise and minimum run length distributions and method of making thereof EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2005-06-23 US claimed
US-6774274-B2 CATIONIC IRIDIUM CARBENE COMPLEXES; HYDROGENATION CATALYSTS CAPABLE OF HYDROGENATING SIMPLE OLEFINS AT ROOM TEMPERATURE UNIVERSITY OF NEW ORLEANS RESEARCH AND TECHNOLOGY FOUNDATION, INC. 2004-08-10 US claimed
US-20020173650-A1 Metal complexes for hydrogenation of unsaturated compounds UNIVERSITY OF NEW ORLEANS RESEARCH AND TECHNOLOGY FOUNDATION, INC. 2002-11-21 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-11912731-B2 Use of silylated formiates as hydrosilane equivalents PFAS, EPM2A, CYP2F1 GABRA1 3435/4885GABRG2 4174/4885GABRB3 3478/4885
US-20230149911-A1 RUTHENIUM-BASED METATHESIS CATALYSTS, PRECURSORS FOR THEIR PREPARATION AND THEIR USE HMBS, RRP12, RNF168 GABRA1 3066/4885GABRG2 3496/4885GABRB3 2335/4885
US-20240116039-A1 RUTHENIUM-BASED METATHESIS CATALYSTS, PRECURSORS FOR THEIR PREPARATION AND THEIR USE HMBS, RRP12, RNF168 GABRA1 3066/4885GABRG2 3496/4885GABRB3 2335/4885
US-20230416178-A1 FORMATION OF P-ALKYLPHENOLS BASED ON INTERMOLECULAR REACTION OF ETHYNE WITH 2-ALKYLFURANS IN THE PRESENCE OF GOLD(I) COMPLEXES EP300, CYP2J2, AHR GABRA1 3397/4885GABRG2 2994/4885GABRB3 3296/4885
US-20080289248-A1 IMMOBILIZED ESTERIFICATION CATALYSTS FOR PRODUCING FATTY ACID ALKYL ESTERS FFAR4, FASN, CEL GABRA1 851/4885GABRG2 591/4885GABRB3 1734/4885
US-20020173650-A1 Metal complexes for hydrogenation of unsaturated compounds INTS6, PRDX6, PRDX2 GABRA1 4328/4885GABRG2 3509/4885GABRB3 3915/4885

“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.