SCHEMBL4634692

SCHEMBL4634692

CCc1ccc(O)cc1C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 5/20 0.57
ALDH1A1 P00352 3/20 0.57
ALOX15 P16050 3/20 0.57
HTT P42858 2/20 0.57
LMNA P02545 2/20 0.57
NR1I2 O75469 1/20 0.57
CYP2C9 P11712 1/20 0.57
MIF P14174 1/20 0.57
NFE2L2 Q16236 1/20 0.57
HSD17B10 Q99714 1/20 0.57
HSPA5 P11021 1/20 0.43
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
HSD17B3 P37058 1/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
ATP2A2 P16615 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATP2A3 Q93084 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
SCHEMBL11681090 0.88 TYR (0.52) TYRALDH1A1ALOX15HTTLMNA
SCHEMBL5385308 0.85 ALDH1A1 (0.59) TYRALDH1A1ALOX15HTTLMNA
SCHEMBL10586839 0.85 TYR (0.59) TYRALDH1A1ALOX15HTTLMNA
SCHEMBL5183011 0.84 TYR (0.53) TYRALDH1A1ALOX15HTTLMNA
SCHEMBL19304121 0.82 HSD17B3 (0.41) TYRALDH1A1ALOX15HTTLMNA
SCHEMBL4630314 0.81 ALDH1A1 (0.50) TYRALDH1A1ALOX15HTTLMNA
SCHEMBL30885859 0.81 ALDH1A1 (0.50) TYRALDH1A1ALOX15HTTLMNA
SCHEMBL27537800 0.81 TYR (0.62) TYRALDH1A1ALOX15HTTLMNA
Benzene SCHEMBL28061142 0.81 TYR (0.50) TYRALDH1A1ALOX15HTTLMNA
SCHEMBL2160202 0.80 ALDH1A1 (0.70) TYRALDH1A1ALOX15HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928945-A1 THERMOPLASTIC POLYMER ADDITIVE COMPOSITONS Colormatrix Europe, Ltd. (GB) 2008-06-11 EP claimed
WO-2007039719-A1 THERMOPLASTIC POLYMER ADDITIVE COMPOSITONS COLORMATRIX EUROPE LIMITED (GB) 2007-04-12 WO claimed
US-20170362210-A1 ANTI-ESTROGENIC COMPOUNDS PFIZER INC. (US) 2017-12-21 US disclosed
US-20170362210-A1 ANTI-ESTROGENIC COMPOUNDS PFIZER INC. (US) 2017-12-21 US disclosed
US-20160311805-A1 ANTI-ESTROGENIC COMPOUNDS PFIZER INC. (US) 2016-10-27 US disclosed
US-20160108019-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS ARAXES PHARMA LLC 2016-04-21 US disclosed
CN-102753628-A Coating composition BYK CHEMIE GMBH 2012-10-24 CN disclosed
EP-1838821-A1 LUBRICATING OIL COMPOSITION Shell Internationale Research Maatschappij B.V. (NL) 2007-10-03 EP disclosed
WO-2006061436-A1 LUBRICATING OIL COMPOSITION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2006-06-15 WO 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 (3 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-20160108019-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS KRAS, NRAS, HRAS TYR 3561/4885ALDH1A1 3457/4885ALOX15 4802/4885
US-20170362210-A1 ANTI-ESTROGENIC COMPOUNDS ESR1, ESRRA, ESR2 TYR 1385/4885ALDH1A1 3275/4885ALOX15 2583/4885
US-20160311805-A1 ANTI-ESTROGENIC COMPOUNDS ESR1, ESRRA, ESR2 TYR 1385/4885ALDH1A1 3275/4885ALOX15 2583/4885

“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.