SCHEMBL2362828

SCHEMBL2362828

C=CCc1ccc(C(F)C(=O)O)cc1OCCCCC

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.40
CNR2 P34972 2/20 0.40
PPARA Q07869 1/20 0.40
CNR1 P21554 1/20 0.39
PLA2G2D Q9UNK4 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
S1PR3 Q99500 1/20 0.39
LMNA P02545 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
SCHEMBL3260822 0.77 PPARA (0.53) KDM4EALDH1A1CNR2PPARACNR1
SCHEMBL27675855 0.74 CNR2 (0.51) KDM4EMAPK1L3MBTL1CNR2CNR1
SCHEMBL9147013 0.72 TP53 (0.56) ALDH1A1
SCHEMBL2839058 0.72 CNR2 (0.52) KDM4EMAPK1L3MBTL1ALDH1A1CNR2
SCHEMBL27675857 0.72 CNR2 (0.48) KDM4EMAPK1L3MBTL1CNR2CNR1
SCHEMBL2842661 0.70 CNR2 (0.50) KDM4EMAPK1L3MBTL1ALDH1A1CNR2
SCHEMBL2848554 0.70 CNR2 (0.50) KDM4EMAPK1L3MBTL1ALDH1A1CNR2
SCHEMBL2846352 0.70 CNR2 (0.50) KDM4EMAPK1L3MBTL1ALDH1A1CNR2
SCHEMBL2844258 0.70 CNR2 (0.50) L3MBTL1ALDH1A1CNR2CNR1LMNA
SCHEMBL28783874 0.69 KDM4E (0.60) KDM4EALDH1A1CNR2CNR1LMNA

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 30 patents — showing the first 20. 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-8293778-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-10-23 US disclosed
EP-1773790-B1 BENZYLTRIAZOLONE COMPOUNDS AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2012-08-15 EP disclosed
US-20110207688-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS DUNN JAMES PATRICK 2011-08-25 US disclosed
CN-1993332-B Benzyltriazolone compounds as non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2011-04-06 CN disclosed
US-7754919-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2010-07-13 US disclosed
US-7666891-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2010-02-23 US disclosed
US-20100041648-A1 METHODS FOR TREATING RETROVIRAL INFECTIONS DUNN JAMES PATRICK 2010-02-18 US disclosed
US-7625897-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2009-12-01 US disclosed
US-7625949-B2 Methods for treating retroviral infections ROCHE PALO ALTO LLC (US) 2009-12-01 US disclosed
WO-2007039463-A1 NNRT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
CN-1946680-A Non-nucleoside reverse transcriptase inhibitors HOFFMANN LA ROCHE (CH) 2007-04-11 CN disclosed
US-20070078128-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2007-04-05 US 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
US-20060025462-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2006-02-02 US disclosed
WO-2006010545-A1 BENZYLTRIAZOLONE COMPOUNDS AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-02 WO 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 (6 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-20070078128-A1 Non-nucleoside reverse transcriptase inhibitors SAMHD1, HPRT1, RTF1 KDM4E 1274/4885MAPK1 2467/4885L3MBTL1 1826/4885
US-20100041648-A1 METHODS FOR TREATING RETROVIRAL INFECTIONS CCR5, CXCR4, CCR1 KDM4E 2322/4885MAPK1 2990/4885L3MBTL1 1092/4885
US-20050239880-A1 Methods for treating retroviral infections CCR5, CD38, CD4 KDM4E 2182/4885MAPK1 2295/4885L3MBTL1 984/4885
US-20110207688-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS MAVS, IRF3, ZC3HAV1 KDM4E 1894/4885MAPK1 2268/4885L3MBTL1 730/4885
US-20060025462-A1 Heterocyclic antiviral compounds MAVS, IRF3, ZC3HAV1 KDM4E 2391/4885MAPK1 1578/4885L3MBTL1 1159/4885
US-20050239881-A1 Non-nucleoside reverse transcriptase inhibitors RPP30, PNP, RTF1 KDM4E 1144/4885MAPK1 2180/4885L3MBTL1 1304/4885

“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.