SCHEMBL535990

SCHEMBL535990

C=Cc1ccccc1CC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.47
GABRB2 P47870 2/20 0.47
ALDH1A1 P00352 3/20 0.40
ADRB2 P07550 3/20 0.32
ADRB1 P08588 3/20 0.32
LMNA P02545 2/20 0.32
TSHR P16473 2/20 0.32
HTR1A P08908 1/20 0.32
ADRB3 P13945 1/20 0.32
ADRA2C P18825 1/20 0.32
SLC6A2 P23975 1/20 0.32
BDKRB2 P30411 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
KCNH2 Q12809 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
NFKB1 P19838 1/20 0.32
CTSS P25774 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
SCHEMBL30641415 1.00 GABRA1 (0.47) GABRA1GABRB2ALDH1A1ADRB2ADRB1
Styrene SCHEMBL2417249 0.91 ALDH1A1 (0.48) GABRA1GABRB2ALDH1A1ADRB2ADRB1
SCHEMBL7647000 0.87 CYP3A4 (0.37) GABRA1GABRB2ALDH1A1CYP2D6
SCHEMBL6025866 0.86 ALDH1A1 (0.39) GABRA1GABRB2ALDH1A1ADRB2ADRB1
SCHEMBL6289164 0.84 ALDH1A1 (0.38) GABRA1GABRB2ALDH1A1ADRB2ADRB1
SCHEMBL28579563 0.84 SLC6A2 (0.45) ALDH1A1ADRB1HTR1ASLC6A2SLC6A4
SCHEMBL810093 0.84 ALDH1A1 (0.42) GABRA1GABRB2ALDH1A1ADRB2ADRB1
SCHEMBL3669290 0.84 ALDH1A1 (0.38) GABRA1GABRB2ALDH1A1ADRB2ADRB1
SCHEMBL10556870 0.83 GABRA1 (0.50) GABRA1GABRB2SLC6A2SLC6A4CTSS
SCHEMBL10556877 0.83 GABRA1 (0.50) GABRA1GABRB2SLC6A2SLC6A4CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119490617-A Preparation and application of polar piperylene-styrene copolymer resin with constant composition 湖南理工学院 2025-02-21 CN claimed
CN-117986502-A Polymer damping brominating agent, high damping brominated butyl rubber composition and preparation thereof 中国石油天然气股份有限公司 2024-05-07 CN claimed
US-20230378532-A1 PolyElectrolyte Composition and Methods of Preparation Thereof Kraton Corporation (US) 2023-11-23 US claimed
EP-4280332-A1 POLYELECTROLYTE COMPOSITION AND METHODS OF PREPARATION THEREOF Kraton Polymers Nederland B.V. (NL) 2023-11-22 EP claimed
CN-117080543-A Polyelectrolyte composition and preparation method thereof 科腾聚合物荷兰有限责任公司 2023-11-17 CN claimed
EP-2984055-B1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS MATERIA INC (US) 2018-10-17 EP claimed
CN-107841073-A A kind of exsertile fluoroplastic pump of corrosion resistance 安徽腾龙泵阀制造有限公司 2018-03-27 CN claimed
CN-104744708-B To block copolymer annealing method and by its obtained product 罗门哈斯电子材料有限公司 2017-12-29 CN claimed
US-9394411-B2 Methods for annealing block copolymers and articles manufactured therefrom DOW GLOBAL TECHNOLOGIES LLC (US) 2016-07-19 US claimed
EP-2964724-A1 PLASTIC SCINTILLATOR MATERIALS, PLASTIC SCINTILLATORS COMPRISING SUCH MATERIALS AND METHOD FOR DISTINGUISHING NEUTRONS FROM GAMMA RAYS USING SAID SCINTILLATORS Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2016-01-13 EP claimed
US-5482596-A Mixed ligand catalyst for preparing aryl-substituted aliphatic carboxylic esters ALBEMARLE CORPORATION (US) 1996-01-09 US claimed
EP-0675868-A1 PROCESS FOR PREPARING ARYL-SUBSTITUTED ALIPHATIC CARBOXYLIC ACIDS AND THEIR ALKYL ESTERS ALBEMARLE CORPORATION (US) 1995-10-11 EP claimed
EP-0673381-A1 HOMOGENEOUS BIMETALLIC HYDROFORMYLATION CATALYSTS AND PROCESSES UTILIZING THESE CATALYSTS FOR CONDUCTING HYDROFORMYLATION REACTIONS THE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 1995-09-27 EP claimed
WO-1994020510-A1 HOMOGENEOUS BIMETALLIC HYDROFORMYLATION CATALYSTS AND PROCESSES UTILIZING THESE CATALYSTS FOR CONDUCTING HYDROFORMYLATION REACTIONS BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 1994-09-15 WO claimed
WO-1994014744-A1 PROCESS FOR PREPARING ARYL-SUBSTITUTED ALIPHATIC CARBOXYLIC ACIDS AND THEIR ALKYL ESTERS ALBEMARLE CORPORATION (US) 1994-07-07 WO claimed
US-5315028-A Catalyst of palladium salt and phosphine ligand, reaction with carbon monoxide, ibuprofen ETHYL CORPORATION (US) 1994-05-24 US claimed
US-5315026-A Palladium salt, ibuprofen ETHYL CORPORATION (US) 1994-05-24 US claimed
US-5254720-A Reacting aryl substituted olefin, water or alcohol, carbon monoxide in presence of palladium/copper complex catalyst ETHYL CORPORATION (US) 1993-10-19 US claimed
US-5098605-A Demulsification of an oil in water emulsion using a P-hydroxystyrene polymer derived from P-acetoxystyrene or a copolymer PETROLITE CORPORATION (US) 1992-03-24 US claimed
US-5097061-A From isobutylbenzene and ethylene, dehydrogenation, carboxylation of the p-isobutylstyrene product, catalytic NIPPON PETROCHEMICALS CO., LTD. (JP) 1992-03-17 US claimed