SCHEMBL2537085

SCHEMBL2537085

C=CCc1cccc(O)c1C=CC=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.46
GABRB2 P47870 2/20 0.46
POLB P06746 2/20 0.44
CDK4 P11802 2/20 0.43
CCND1 P24385 2/20 0.43
MAPT P10636 5/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 3/20 0.40
GAA P10253 3/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 2/20 0.40
CASP1 P29466 1/20 0.40
AKR1B1 P15121 1/20 0.40
MMP2 P08253 1/20 0.39
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
MAPK1 P28482 2/20 0.35

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
SCHEMBL166586 0.83 GABRA1 (0.52) GABRA1GABRB2POLBMAPTKMT2A
SCHEMBL4453040 0.80 GABRA1 (0.49) GABRA1GABRB2POLBMAPTKMT2A
SCHEMBL8163478 0.79 GABRA1 (0.55) GABRA1GABRB2POLBMAPTKMT2A
SCHEMBL9159172 0.78 CDK4 (0.59) POLBCDK4CCND1MAPTKMT2A
SCHEMBL4704501 0.76 GABRA1 (0.52) GABRA1GABRB2POLBMAPTKMT2A
2-Allylphenol SCHEMBL6843618 0.75 GABRA1 (0.50) GABRA1GABRB2POLBMAPTKMT2A
2-Allylphenol SCHEMBL28029716 0.74 GABRA1 (0.42) GABRA1GABRB2POLBCDK4CCND1
2-Allylphenol SCHEMBL2537086 0.74 GABRA1 (0.48) GABRA1GABRB2POLBMAPTKMT2A
Oxirane SCHEMBL27517003 0.74 GABRA1 (0.42) GABRA1GABRB2POLBMAPTKMT2A
SCHEMBL6806734 0.73 GABRA1 (0.49) GABRA1GABRB2POLBMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005005379-A2 ALKOXYLATED ALKYLPHENOL-ARYLALDEHYDE POLYMER NALCO ENERGY SERVICES, L.P. (US) 2005-01-20 WO claimed
US-20040266973-A1 Alkoxylated alkylphenol-arylaldehyde polymer NALCO COMPANY LLC 2004-12-30 US claimed
US-10125226-B2 Scale-up process of bifunctionalized triblock copolymers with secondary and tertiary amines, with application in dewatering and desalting of heavy crude oils INSTITUTO MEXICANO DEL PETROLEO (MX) 2018-11-13 US disclosed
US-20140364566-A1 SCALE-UP PROCESS OF BIFUNCTIONALIZED TRIBLOCK COPOLYMERS WITH SECONDARY AND TERTIARY AMINES, WITH APPLICATION IN DEWATERING AND DESALTING OF HEAVY CRUDE OILS INSTITUTO MEXICANO DEL PETROLEO (MX) 2014-12-11 US disclosed
US-8039518-B2 for water in crude oil emulsions; improved biodegradability profile and low ecotoxicity; polyorthoesters; use with oil from fermentation or oil production; for example polymer obtained by reacting triethylorthoformate with polypropylene glycol, and then with ethylene oxide AKZO NOBEL, N.V. (NL) 2011-10-18 US disclosed
US-20090209666-A1 ENVIRONMENTALLY-FRIENDLY OIL/WATER DEMULSIFIERS AKZO NOBEL N.V. (NL) 2009-08-20 US disclosed
WO-2005005379-A3 ALKOXYLATED ALKYLPHENOL-ARYLALDEHYDE POLYMER NALCO ENERGY SERVICES LP (US) 2005-08-04 WO disclosed
WO-2005005379-A2 ALKOXYLATED ALKYLPHENOL-ARYLALDEHYDE POLYMER NALCO ENERGY SERVICES, L.P. (US) 2005-01-20 WO disclosed
WO-2005005379-A2 ALKOXYLATED ALKYLPHENOL-ARYLALDEHYDE POLYMER NALCO ENERGY SERVICES, L.P. (US) 2005-01-20 WO disclosed
US-20040266973-A1 Alkoxylated alkylphenol-arylaldehyde polymer NALCO COMPANY LLC 2004-12-30 US disclosed
US-20040266973-A1 Alkoxylated alkylphenol-arylaldehyde polymer NALCO COMPANY LLC 2004-12-30 US disclosed
US-20040266973-A1 Alkoxylated alkylphenol-arylaldehyde polymer NALCO COMPANY LLC 2004-12-30 US disclosed