SCHEMBL5034592

SCHEMBL5034592

C=Cc1cccc(CC(C)CC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PTGS2 P35354 1/20 0.37
TRPA1 O75762 1/20 0.36
PNMT P11086 1/20 0.36
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
TAAR1 Q96RJ0 4/20 0.34
HTR2A P28223 3/20 0.33
HTR2B P41595 3/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
HTR2C P28335 2/20 0.33
MAOA P21397 1/20 0.33
SLC6A3 Q01959 1/20 0.33
FAAH O00519 1/20 0.33
CYP2A6 P11509 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL5036750 0.87 TP53 (0.42) TP53TDP1PTGS2TRPA1PNMT
SCHEMBL5031509 0.84 TP53 (0.46) TP53TDP1PTGS2TRPA1PNMT
SCHEMBL5033169 0.84 TP53 (0.48) TP53TDP1PTGS2PNMTALDH1A1
SCHEMBL5031531 0.83 TP53 (0.42) TP53TDP1PTGS2TRPA1ALDH1A1
SCHEMBL19215205 0.82 TP53 (0.47) TP53TDP1PTGS2TRPA1PNMT
SCHEMBL5031554 0.81 TP53 (0.46) TP53TDP1PTGS2TRPA1PNMT
SCHEMBL3671900 0.81 TP53 (0.46) TP53TDP1PTGS2TRPA1PNMT
SCHEMBL5039083 0.78 ALDH1A1 (0.44) TRPA1ALDH1A1TSHRTAAR1SLC6A4
SCHEMBL3894782 0.78 TP53 (0.43) TP53TDP1PTGS2PNMTALDH1A1
SCHEMBL15783 0.77 TP53 (0.54) TP53TDP1PTGS2TRPA1ALDH1A1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7402645-B2 Soluble polyfunctional vinyl aromatic polymer and method of producing the same NIPPON STEEL CHEMICAL CO., LTD. (JP) 2008-07-22 US disclosed
US-20070155923-A1 Soluble polyfunctional vinyl aromatic polymer and method of producing the same NIPPON STEEL CHEMICAL CO., LTD. (JP) 2007-07-05 US disclosed
US-6900273-B1 Low-hygroscopicity low-birefringence resin compositions, molding material obtained therefrom, sheet or film, and optical part HITACHI CHEMICAL CO., LTD. (JP) 2005-05-31 US disclosed
US-20040220342-A1 Low-hygroscopicity low-birefringence resin compositions, molding material, sheet or film obtained therefrom, and optical part YAMASHITA YUKIHIKO (JP) 2004-11-04 US disclosed
EP-1205517-A1 LOW-HYGROSCOPICITY LOW-BIREFRINGENCE RESIN COMPOSITIONS, MOLDING MATERIAL OBTAINED THEREFROM, SHEET OR FILM, AND OPTICAL PART HITACHI CHEMICAL COMPANY, LTD. (JP) 2002-05-15 EP disclosed
US-4239806-A ADHESIVE COMPRISING A BLOCK COPOLYMER OF STYRENE, A CONJUGATED DIENE, AND A HYDROCARBYL SUBSTITUTED STYRENE PHILLIPS PETROLEUM COMPANY (US) 1980-12-16 US disclosed
US-4178275-A Block copolymers of dienes and hydrocarbyl-substituted styrenes as adhesives PHILLIPS PETROLEUM COMPANY (US) 1979-12-11 US disclosed
US-4136137-A PRESSURE SENSITIVE ADHESIVES PHILLIPS PETROLEUM COMPANY (US) 1979-01-23 US disclosed