SCHEMBL1980875

SCHEMBL1980875

C=CCc1cccc(C(C)(C)C)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.59
GABRB2 P47870 3/20 0.59
CA2 P00918 1/20 0.55
AKR1B1 P15121 1/20 0.46
GAA P10253 2/20 0.46
ALOX12 P18054 1/20 0.45
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL11119930 0.89 GABRA1 (0.59) GABRA1GABRB2CA2AKR1B1GAA
2-Allylphenol SCHEMBL9516154 0.87 CA2 (0.53) GABRA1GABRB2CA2AKR1B1GAA
SCHEMBL10554307 0.83 CA2 (0.52) GABRA1GABRB2CA2GAAALOX12
SCHEMBL6841870 0.81 GABRA1 (0.42) GABRA1GABRB2CA2ALDH1A1LMNA
SCHEMBL9195190 0.81 AKR1B1 (0.60) GABRA1GABRB2CA2AKR1B1GAA
SCHEMBL168974 0.80 GABRA1 (0.79) GABRA1GABRB2AKR1B1GAAALOX12
SCHEMBL27775371 0.80 GABRA1 (0.43) GABRA1GABRB2CA2AKR1B1GAA
SCHEMBL10413004 0.80 GABRA1 (0.43) GABRA1GABRB2CA2AKR1B1GAA
SCHEMBL8850517 0.79 GABRA1 (0.68) GABRA1GABRB2AKR1B1GAAMEN1
2-Allylphenol SCHEMBL10901820 0.79 TSHR (0.60) GABRA1GABRB2CA2AKR1B1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0593497-A1 PROCESS FOR THE PREPARATION OF 2-ALKYL-4-ACYL-6--i(TERT)-BUTYLPHENOL COMPOUNDS. PROCTER & GAMBLE (US) 1994-04-27 EP claimed
WO-1992017432-A1 PROCESS FOR THE PREPARATION OF 2-ALKYL-4-ACYL-6-TERT-BUTYLPHENOL COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1992-10-15 WO claimed
US-5126487-A Reacting 2-alkyl-6-tert-butyl phenol, unsaturated carboxylic acid, trifluoroacetic anhydride THE PROCTER & GAMBLE COMPANY (US) 1992-06-30 US claimed
US-4219570-A Insect repellents and a method of repelling insects AJINOMOTO COMPANY, INCORPORATED (JP) 1980-08-26 US claimed
JP-59053469-A None JP disclosed
EP-2334624-B1 PROCESS FOR MAKING 2-SECONDARY-ALKYL-4,5-DI-(NORMAL-ALKYL)PHENOLS INVISTA TECHNOLOGIES SRL (CH) 2014-10-01 EP disclosed
US-8247621-B2 Process for making 2-secondary-alkyl-4,5-di-(normal-alkyl)phenols INVISTA NORTH AMERICA S.A.R.L. (US) 2012-08-21 US disclosed
EP-2334624-A1 PROCESS FOR MAKING 2-SECONDARY-ALKYL-4,5-DI-(NORMAL-ALKYL)PHENOLS Invista Technologies S.A R.L. (CH) 2011-06-22 EP disclosed
WO-2010045131-A1 PROCESS FOR MAKING 2-SECONDARY-ALKYL-4,5-DI-(NORMAL-ALKYL)PHENOLS INVISTA TECHNOLOGIES S.A.R.L. (CH) 2010-04-22 WO disclosed
US-20100099922-A1 PROCESS FOR MAKING 2-SECONDARY-ALKYL-4,5-DI-(NORMAL-ALKYL)PHENOLS INVISTA NORTH AMERICA S.A.R.L. (US) 2010-04-22 US disclosed
US-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same WYETH (US) 2009-03-26 US disclosed
US-7435837-B2 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2008-10-14 US disclosed
US-4847303-A UNSATURATED KETONES THE PROCTER & GAMBLE COMPANY (US) 1989-07-11 US disclosed
EP-0321432-A1 Process for the preparation of certain substituted aromatic compounds Norwich Eaton Pharmaceuticals, Inc. (US) 1989-06-21 EP disclosed
EP-0292660-A2 Alkylidenedithiobis (substituted) phenols for inhibiting interleukin-1 release and for alleviating interleukin-1 mediated conditions MERRELL DOW PHARMACEUTICALS INC. (US) 1988-11-30 EP disclosed
EP-0117328-B1 LIQUID FUELS CONTAINING CORROSION INHIBITORS, AND INHIBITOR CONCENTRATES ETHYL PETROLEUM ADDITIVES LIMITED (GB) 1987-04-29 EP disclosed
EP-0117328-A1 Liquid fuels containing corrosion inhibitors, and inhibitor concentrates ETHYL PETROLEUM ADDITIVES LIMITED (GB) 1984-09-05 EP disclosed
JP-S5953469-A PREPARATION OF BENZIMIDAZOLINE-2-THIONE DERIVATIVE SUMITOMO CHEM CO LTD 1984-03-28 JP disclosed
US-4236032-A FROM 3-ALKYLPHENOLS OR 2,3-DIALKYLPHENOLS CONOCO, INC. (US) 1980-11-25 US disclosed
US-4236032-A FROM 3-ALKYLPHENOLS OR 2,3-DIALKYLPHENOLS CONOCO, INC. (US) 1980-11-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same HTR2C, HTR1A, HTR3A GABRA1 123/4885GABRB2 184/4885CA2 2818/4885
US-20100099922-A1 PROCESS FOR MAKING 2-SECONDARY-ALKYL-4,5-DI-(NORMAL-ALKYL)PHENOLS UGT1A4, CYP4B1, CYP4X1 GABRA1 4084/4885GABRB2 3781/4885CA2 3450/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.