SCHEMBL861913

SCHEMBL861913

CCC(C)(C)c1ccc(CCC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.55
RXRB P28702 1/20 0.55
RXRG P48443 1/20 0.55
NR1H4 Q96RI1 3/20 0.54
EPHX2 P34913 1/20 0.54
FFAR1 O14842 8/20 0.53
KEAP1 Q14145 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 1/20 0.50
ALDH1A1 P00352 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
FFAR4 Q5NUL3 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL25256046 0.86 ALDH1A1 (0.53) RXRARXRBRXRGNR1H4EPHX2
SCHEMBL846131 0.83 NR1H4 (0.71) RXRARXRBRXRGNR1H4EPHX2
SCHEMBL14093784 0.81 RXRA (0.53) RXRARXRBRXRGNR1H4EPHX2
SCHEMBL7407541 0.81 RXRA (0.58) RXRARXRBRXRGNR1H4EPHX2
SCHEMBL846142 0.81 FFAR1 (0.62) RXRARXRBRXRGNR1H4EPHX2
SCHEMBL846084 0.80 CYP4F2 (0.64) EPHX2L3MBTL1LMNATRPV1
SCHEMBL7611071 0.79 FFAR1 (0.50) RXRARXRBRXRGNR1H4EPHX2
SCHEMBL13857067 0.79 SLC13A5 (0.48) TRPV1
SCHEMBL69746 0.78 FFAR1 (0.81) FFAR1KEAP1L3MBTL1LMNAFFAR4
SCHEMBL28410527 0.78 FFAR1 (0.55) RXRARXRBRXRGNR1H4EPHX2

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
US-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US disclosed
US-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US disclosed
US-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US disclosed
EP-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 EP disclosed
EP-2308848-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor Janssen Pharmaceutica NV (BE) 2011-04-13 EP disclosed
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 US disclosed
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 US disclosed
EP-1603883-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2005-12-14 EP disclosed
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-30 US disclosed
WO-2004069792-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (US) 2004-08-19 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-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor TRPV1, OPRL1, TRPV2 RXRA 731/4885RXRB 928/4885RXRG 913/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 RXRA 731/4885RXRB 928/4885RXRG 913/4885

“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.