SCHEMBL6709734

SCHEMBL6709734

CC(C)c1ccc(O)c(C(C)C)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HIF1A Q16665 3/20 0.33
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
RNASEH1 O60930 1/20 0.31
OPRK1 P41145 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 3/20 0.30
TRPA1 O75762 2/20 0.30
PTGS1 P23219 2/20 0.30
SLC6A2 P23975 2/20 0.30
HTR2B P41595 2/20 0.30

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
SCHEMBL15538073 0.79 LMNA (0.31) HIF1ALMNA
SCHEMBL14803456 0.79 ALDH1A1 (0.39) TYRHPGDKDM4EUSP2HSD17B10
SCHEMBL16172617 0.77 KDM4E (0.38) TYRHPGDKDM4EUSP2HSD17B10
SCHEMBL14098461 0.77 KDM4E (0.52) TYRHPGDKDM4EUSP2HSD17B10
SCHEMBL31286010 0.77 TYR (0.34) TYRHPGDKDM4EUSP2HSD17B10
SCHEMBL20666765 0.76 TYR (0.38) TYRHPGDKDM4EUSP2HSD17B10
SCHEMBL13130224 0.76 TYR (0.33) TYRHPGDKDM4EUSP2HSD17B10
SCHEMBL12796015 0.74 LMNA (0.31) HPGDHIF1AGABRA1GABRB2LMNA
SCHEMBL12848429 0.74 NOS3 (0.34) LMNATRPA1PTGS1CACNA1CCYP1A2
SCHEMBL20780323 0.73 GLP1R (0.34) HTR2CPDE2APDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422248-B2 Phenyl- and pyridinyl-substituted 2,2,2-trifluoroethanols having anticonvulsant properties UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2016-08-23 US disclosed
US-20150158821-A1 SUBSTITUTED PHENOLS HAVING ANTICONVULSANT PROPERTIES UNIVERSITY OF IOWA RESEARCH FOUNDATION 2015-06-11 US disclosed
US-20040248913-A1 (Pyridinyl and pyrimidyl) trienoic acid derivatives as retinoid x receptor modulators LIGAND PHARMACEUTICALS, INC. 2004-12-09 US disclosed
EP-1414450-A1 (PYRIDINYL AND PYRIMIDYL)TRIENOIC ACID DERIVATIVES AS RETINOID X RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-05-06 EP disclosed
WO-2003007950-A1 (PYRIDINYL AND PYRIMIDYL) TRIENOIC ACID DERIVATIVES AS RETINOID X RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-01-30 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 (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-20040248913-A1 (Pyridinyl and pyrimidyl) trienoic acid derivatives as retinoid x receptor modulators TSHR, THRA, RXRA TYR 1580/4885HPGD 1046/4885KDM4E 3687/4885
US-20150158821-A1 SUBSTITUTED PHENOLS HAVING ANTICONVULSANT PROPERTIES PNMT, COMT, GABRE TYR 261/4885HPGD 338/4885KDM4E 400/4885

“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.