SCHEMBL5034577

SCHEMBL5034577

C=Cc1ccc(CCC(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
TSHR P16473 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
ADRB2 P07550 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
CYP24A1 Q07973 1/20 0.32
AOC3 Q16853 2/20 0.32
THRB P10828 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL5034601 0.88 ALDH1A1 (0.42) ALDH1A1TAS1R3TAS1R1TSHRHDAC8
SCHEMBL2638242 0.86 ALDH1A1 (0.44) ALDH1A1TAS1R3TAS1R1TSHRHDAC8
SCHEMBL10492535 0.85 HIF1A (0.41) ALDH1A1THRB
SCHEMBL28390815 0.84 ALDH1A1 (0.42) ALDH1A1TAS1R3TAS1R1TSHRHDAC8
SCHEMBL5034599 0.82 ALDH1A1 (0.41) ALDH1A1TAS1R3TAS1R1TSHRHDAC8
SCHEMBL6284836 0.82 ALDH1A1 (0.41) ALDH1A1TAS1R3TAS1R1TSHRHDAC8
SCHEMBL8080450 0.82 HTT (0.41) TSHRADRB2HTTSMN1; SMN2AOC3
SCHEMBL3357514 0.80 AOC3 (0.41) ALDH1A1TAS1R3TAS1R1AOC3
SCHEMBL1647493 0.79 ALDH1A1 (0.65) ALDH1A1TAS1R3TAS1R1TSHRHDAC8
SCHEMBL50012 0.79 ALDH1A1 (0.65) ALDH1A1TAS1R3TAS1R1TSHRHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117820574-A Polymer and preparation method thereof, and brominated branched butyl rubber and preparation method and application thereof 中国石油天然气股份有限公司 2024-04-05 CN claimed
CN-117801149-A Polymer damping agent and preparation of high-damping brominated butyl rubber 中国石油天然气股份有限公司 2024-04-02 CN claimed
CN-117801190-A Polymer damping brominated grafting agent and preparation of high damping brominated branched butyl rubber 中国石油天然气股份有限公司 2024-04-02 CN claimed
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
CN-117820574-B Polymer and preparation method thereof, and brominated branched butyl rubber and preparation method and application thereof 中国石油天然气股份有限公司 2025-02-25 CN 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-117820574-A Polymer and preparation method thereof, and brominated branched butyl rubber and preparation method and application thereof 中国石油天然气股份有限公司 2024-04-05 CN disclosed
CN-117801149-A Polymer damping agent and preparation of high-damping brominated butyl rubber 中国石油天然气股份有限公司 2024-04-02 CN disclosed
CN-117801190-A Polymer damping brominated grafting agent and preparation of high damping brominated branched butyl rubber 中国石油天然气股份有限公司 2024-04-02 CN disclosed
US-20230265275-A1 Curable Compositions AGC Multi Material America, Inc. 2023-08-24 US disclosed
WO-2016131900-A1 BLOCK COPOLYMERS WITH SURFACE-ACTIVE JUNCTION GROUPS, COMPOSITIONS AND PROCESSES THEREOF AZ Electronic Materials (Luxembourg) S.à.r.l. (LU) 2016-08-25 WO 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
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-6156948-A Method for preparation of styrenes AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 2000-12-05 US disclosed
US-4958021-A PRESSURE AND HEAT SENSITIVE RECORDING MATERIALS BASF AKTIENGESELLSCHAFT (DE) 1990-09-18 US disclosed
US-4611039-A Wettable, gas permeable contact lens PRECISION-COSMET CO., INC. (US) 1986-09-09 US disclosed