SCHEMBL5036742

SCHEMBL5036742

C=Cc1cccc(CCC(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
OPRM1 P35372 4/20 0.41
OPRD1 P41143 4/20 0.41
OPRK1 P41145 4/20 0.41
PTGS2 P35354 1/20 0.38
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL5033491 0.90 TP53 (0.43) TP53TDP1OPRM1OPRD1OPRK1
SCHEMBL5031531 0.85 TP53 (0.42) TP53TDP1OPRM1OPRD1OPRK1
SCHEMBL28155363 0.83 TP53 (0.41) TP53TDP1OPRM1OPRD1OPRK1
SCHEMBL29375309 0.82 TP53 (0.52) TP53TDP1OPRM1OPRD1OPRK1
SCHEMBL595016 0.82 TP53 (0.52) TP53TDP1OPRM1OPRD1OPRK1
SCHEMBL17103311 0.82 MAOA (0.42) TDP1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL5033169 0.81 TP53 (0.48) TP53TDP1PTGS2ALDH1A1TSHR
SCHEMBL13614407 0.81 OPRM1 (0.40) OPRM1OPRD1OPRK1ALDH1A1GRIN2D
SCHEMBL1645656 0.81 TP53 (0.50) TP53TDP1OPRM1OPRD1OPRK1
SCHEMBL29619562 0.81 TP53 (0.50) TP53TDP1OPRM1OPRD1OPRK1

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 10 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