SCHEMBL1980255

SCHEMBL1980255

C=CCc1ccc(C(C)(C)C)cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
HPGD P15428 2/20 0.52
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
GABRA1 P14867 4/20 0.46
GABRB2 P47870 4/20 0.46
CYP2D6 P10635 3/20 0.45
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 0.43
GAA P10253 3/20 0.43
KMT2A Q03164 3/20 0.43
PKM P14618 1/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
PTPN1 P18031 1/20 0.41
POLB P06746 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
XDH P47989 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
SCHEMBL14422820 0.89 KLF10 (0.49) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL3706546 0.86 GABRA1 (0.59) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL25689805 0.82 ESR1 (0.53) ALDH1A1GABRA1GABRB2CYP2D6PTPN1
SCHEMBL1986356 0.82 GABRA1 (0.46) ALDH1A1HPGDGABRA1GABRB2MAPT
SCHEMBL10233336 0.79 ALDH1A1 (0.57) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL51349 0.79 ALDH1A1 (0.61) ALDH1A1HPGDALOX15HSD17B10TDP1
Hydrochloric Acid SCHEMBL250215 0.78 ALDH1A1 (0.55) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL25689814 0.78 CYP1A2 (0.39) ALDH1A1HPGDHSD17B10GABRA1GABRB2
SCHEMBL11480932 0.77 GABRA1 (0.41) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL4508763 0.77 ALDH1A1 (0.59) ALDH1A1HPGDALOX15HSD17B10TDP1

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
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
EP-0445827-B1 4-Hydroxytetrahydropyran-2-one derivatives useful as cholesterol and lipid reducing agents FUJIREBIO KK (JP) 1996-09-25 EP disclosed
US-5149834-A Anticholesterol agent and enzyme inhibitors, for curing arteriosclerosis FUJIREBIO INC. (JP) 1992-09-22 US disclosed
EP-0445827-A2 4-Hydroxytetrahydropyran-2-one derivatives useful as cholesterol and lipid reducing agents FUJIREBIO INC. (JP) 1991-09-11 EP disclosed
US-4236031-A FROM 3-ALKYLPHENOLS OR 2,3-DIALKYLPHENOLS CONOCO, INC. (US) 1980-11-25 US disclosed
US-4236031-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 (1 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-20100099922-A1 PROCESS FOR MAKING 2-SECONDARY-ALKYL-4,5-DI-(NORMAL-ALKYL)PHENOLS UGT1A4, CYP4B1, CYP4X1 ALDH1A1 513/4885HPGD 1803/4885ALOX15 387/4885

“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.