SCHEMBL3260822

SCHEMBL3260822

C=CCc1ccc(CC(=O)O)cc1OCCCCC

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.53
PTPN11 Q06124 3/20 0.52
PTPN1 P18031 1/20 0.52
PTPN6 P29350 1/20 0.52
PLA2G4B P0C869 2/20 0.48
THRA P10827 2/20 0.48
THRB P10828 2/20 0.48
CNR2 P34972 2/20 0.47
CNR1 P21554 1/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL17294063 0.88 PPARA (0.47) PPARATHRBMAPTALDH1A1KDM4E
SCHEMBL5093658 0.81 PTPN11 (0.66) PTPN11PTPN1PTPN6PLA2G4BTHRA
SCHEMBL5138907 0.81 PTPN11 (0.66) PTPN11PTPN1PTPN6PLA2G4BTHRA
SCHEMBL11579754 0.78 PTPN11 (0.58) PTPN11PTPN1PTPN6PLA2G4BTHRA
SCHEMBL9306902 0.77 PTPN11 (0.62) PPARAPTPN11PTPN1PTPN6PLA2G4B
SCHEMBL27675855 0.77 CNR2 (0.51) CNR2CNR1KDM4E
SCHEMBL2362828 0.77 KDM4E (0.43) PPARACNR2CNR1ALDH1A1KDM4E
SCHEMBL9147013 0.75 TP53 (0.56) PTPN11PLA2G4BMAPTALDH1A1HPGD
SCHEMBL2839058 0.75 CNR2 (0.52) CNR2CNR1MAPTALDH1A1KDM4E
SCHEMBL9304941 0.75 PTPN11 (0.62) PPARAPTPN11PTPN1PTPN6PLA2G4B

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
US-8329755-B2 Methods for treating retroviral infections ROCHE PALO ALTO LLC (US) 2012-12-11 US disclosed
US-20100041648-A1 METHODS FOR TREATING RETROVIRAL INFECTIONS DUNN JAMES PATRICK 2010-02-18 US disclosed
US-7625949-B2 Methods for treating retroviral infections ROCHE PALO ALTO LLC (US) 2009-12-01 US disclosed
EP-1742908-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-11 EP disclosed
US-7166738-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2007-01-23 US disclosed
EP-1742908-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-01-17 EP disclosed
WO-2005102989-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-03 WO disclosed
US-20050239881-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2005-10-27 US disclosed
US-20050239880-A1 Methods for treating retroviral infections ROCHE PALO ALTO LLC 2005-10-27 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-20100041648-A1 METHODS FOR TREATING RETROVIRAL INFECTIONS CCR5, CXCR4, CCR1 PPARA 3312/4885PTPN11 3210/4885PTPN1 2539/4885
US-20050239880-A1 Methods for treating retroviral infections CCR5, CD38, CD4 PPARA 3307/4885PTPN11 3010/4885PTPN1 2515/4885
US-20050239881-A1 Non-nucleoside reverse transcriptase inhibitors RPP30, PNP, RTF1 PPARA 3481/4885PTPN11 480/4885PTPN1 472/4885

“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.