SCHEMBL5033169

SCHEMBL5033169

C=Cc1cccc(CC(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PTGS2 P35354 1/20 0.40
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
PNMT P11086 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
TAAR1 Q96RJ0 4/20 0.37
SLC6A2 P23975 2/20 0.36
MAOA P21397 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CYP2A6 P11509 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 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
Pyrrolidine SCHEMBL26679533 0.87 TP53 (0.39) TP53TDP1PTGS2GABRA1GABRB2
SCHEMBL19215205 0.87 TP53 (0.47) TP53TDP1PTGS2PNMTALDH1A1
SCHEMBL5031554 0.85 TP53 (0.46) TP53TDP1PTGS2PNMTALDH1A1
SCHEMBL3671900 0.85 TP53 (0.46) TP53TDP1PTGS2PNMTALDH1A1
SCHEMBL5034592 0.84 TP53 (0.44) TP53TDP1PTGS2PNMTALDH1A1
SCHEMBL2924057 0.82 GABRA1 (0.40) GABRA1GABRB2PNMTTAAR1SLC6A2
SCHEMBL3894782 0.82 TP53 (0.43) TP53TDP1PTGS2PNMTALDH1A1
SCHEMBL5036742 0.81 TP53 (0.46) TP53TDP1PTGS2ALDH1A1TSHR
SCHEMBL5031509 0.81 TP53 (0.46) TP53TDP1PTGS2PNMTALDH1A1
SCHEMBL5036750 0.81 TP53 (0.42) TP53TDP1PTGS2PNMTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0968159-B1 METHOD FOR PREPARATION OF STYRENES AVENTIS RES & TECH GMBH & CO (DE) 2001-10-10 EP claimed
US-6156948-A Method for preparation of styrenes AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 2000-12-05 US claimed
JP-2160729-A None JP disclosed
US-20240182677-A1 Curable Compositions AGC Multi Material America, Inc. 2024-06-06 US disclosed
CN-118047914-A Curable composition AGC多材料美国有限公司 2024-05-17 CN disclosed
CN-116940608-A Curable composition AGC多材料美国有限公司 2023-10-24 CN disclosed
WO-2023164430-A1 CURABLE COMPOSITIONS AGC Multi Material America, Inc. (US) 2023-08-31 WO disclosed
US-20230265275-A1 Curable Compositions AGC Multi Material America, Inc. 2023-08-24 US disclosed
US-11630094-B2 Layers for the detection of oxygen HAMILTON BONADUZ AG (CH) 2023-04-18 US disclosed
CN-110050030-B Oxygen detection layer 哈美顿博纳图斯股份公司 2021-11-19 CN disclosed
CN-110114398-A Polymerization initiator composition, preparation method and the method for preparing polymer using the polymerization initiator composition LG化学株式会社 2019-08-09 CN disclosed
EP-0373362-B1 METHOD FOR PREPARING P-ISOBUTYLSTYRENE NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1993-02-03 EP disclosed
US-5097061-A From isobutylbenzene and ethylene, dehydrogenation, carboxylation of the p-isobutylstyrene product, catalytic NIPPON PETROCHEMICALS CO., LTD. (JP) 1992-03-17 US disclosed
JP-H02160729-A O-ISOBUTYLETHYLBENZENE AND M-ISOBUTYLETHYLBENZENE NIPPON PETROCHEM CO LTD 1990-06-20 JP disclosed
EP-0373362-A1 Method for preparing p-isobutylstyrene NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1990-06-20 EP disclosed
EP-0347939-A1 Method for preparing alpha-(4-isobutylphenyl) propionic acid or its precursor NIPPON PETROCHEMICALS CO., LTD. (JP) 1989-12-27 EP disclosed
US-4202199-A Manufacture of alkylphenol compounds BASF AKTIENGESELLSCHAFT (DE) 1980-05-13 US disclosed
US-4201829-A BLEND OF DIENE-STYRENE GRAFT POLYMER, ACRYLONITRILE-METHACRYLATE-STYRENE-TERPOLYMER, VINYL CHLORIDE POLYMER THE GOODYEAR TIRE & RUBBER COMPANY (US) 1980-05-06 US disclosed
US-4198531-A Manufacture of p-alkylphenols BASF AKTIENGESELLSCHAFT (DE) 1980-04-15 US disclosed
US-4138591-A Manufacture of alkylphenols BASF AKTIENGESELLSCHAFT (DE) 1979-02-06 US disclosed