SCHEMBL3581346

SCHEMBL3581346

Cc1cc(C=CC(C)(C)C)ccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRB P28702 2/20 0.46
TBK1 Q9UHD2 1/20 0.44
PTPN1 P18031 4/20 0.42
PTPN2 P17706 1/20 0.42
PTPN6 P29350 1/20 0.42
RXRA P19793 1/20 0.42
NR1H4 Q96RI1 1/20 0.40
TDP1 Q9NUW8 3/20 0.40
HNF4A P41235 1/20 0.39
NFE2L2 Q16236 1/20 0.39
TTR P02766 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PTGS2 P35354 1/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL3581339 1.00 RXRB (0.46) RXRBTBK1PTPN1PTPN2PTPN6
SCHEMBL3577552 0.85 RXRB (0.48) RXRBPTPN1PTPN2PTPN6RXRA
SCHEMBL5165719 0.85 RXRB (0.48) RXRBPTPN1PTPN2PTPN6RXRA
SCHEMBL3577550 0.85 RXRB (0.48) RXRBPTPN1PTPN2PTPN6RXRA
SCHEMBL3581214 0.83 PTGS2 (0.46) PTPN1ALDH1A1PTGS2KDM4ECYP3A4
SCHEMBL3581218 0.83 PTGS2 (0.46) PTPN1ALDH1A1PTGS2KDM4ECYP3A4
SCHEMBL28763813 0.81 PTPN1 (0.46) RXRBPTPN1PTPN2PTPN6RXRA
SCHEMBL13544099 0.81 PTPN1 (0.46) RXRBPTPN1PTPN2PTPN6RXRA
SCHEMBL28763809 0.81 PTPN1 (0.46) RXRBPTPN1PTPN2PTPN6RXRA
SCHEMBL940632 0.79 MCL1 (0.48) RXRBTBK1PTPN1PTPN2PTPN6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US disclosed
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 US disclosed
EP-1954132-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2008-08-13 EP disclosed
WO-2007100758-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-09-07 WO disclosed
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2006-08-31 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 (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-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 RXRB 1363/4885TBK1 1790/4885PTPN1 2094/4885
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 RXRB 1339/4885TBK1 1527/4885PTPN1 2103/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 RXRB 1339/4885TBK1 1527/4885PTPN1 2103/4885

“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.