SCHEMBL3779992

SCHEMBL3779992

O=C(O)/C=C/c1ccc(C(F)(F)F)nc1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 6/20 0.51
PTGER4 P35408 6/20 0.51
PTGER2 P43116 6/20 0.51
PTGER1 P34995 4/20 0.51
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
GAA P10253 2/20 0.46
PTGDR Q13258 1/20 0.46
PPARG P37231 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PKM P14618 1/20 0.44
MAP3K7 O43318 2/20 0.44
TAB1 Q15750 2/20 0.44
HCAR2 Q8TDS4 1/20 0.43
TRPV1 Q8NER1 2/20 0.42
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL3779993 1.00 PTGER3 (0.51) PTGER3PTGER4PTGER2PTGER1ALDH1A1
SCHEMBL3789099 0.85 KDM4E (0.44) PTGER3PTGER4PTGER2PTGER1ALDH1A1
SCHEMBL15133693 0.83 L3MBTL1 (0.42) ALDH1A1GAATRPV1
SCHEMBL3778876 0.81 HTT (0.50) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL3779741 0.81 HTT (0.50) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL3784074 0.81 KDM4E (0.47) ALDH1A1KDM4EGAAPPARGMEN1
SCHEMBL3776908 0.81 KDM4E (0.53) ALDH1A1KDM4EGAAPPARGMEN1
SCHEMBL3776910 0.81 KDM4E (0.53) ALDH1A1KDM4EGAAPPARGMEN1
SCHEMBL3784070 0.81 KDM4E (0.47) ALDH1A1KDM4EGAAPPARGMEN1
Phenol SCHEMBL4441185 0.80 HTT (0.46) ALDH1A1KDM4EGAAPPARGMEN1

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
EP-2054411-B1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORP (KR) 2014-08-20 EP disclosed
US-7858621-B2 Compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same AMOREPACIFIC CORPORATION (KR) 2010-12-28 US disclosed
EP-2054411-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2009-05-06 EP disclosed
US-20080312234-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2008-12-18 US disclosed
WO-2008013414-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2008-01-31 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 (1 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-20080312234-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 PTGER3 209/4885PTGER4 301/4885PTGER2 200/4885

“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.