SCHEMBL2957802

SCHEMBL2957802

O=[C]/C=C/c1cccc(Cc2ccccc2)c1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 4/20 0.36
PTGDR Q13258 4/20 0.36
TBXA2R P21731 3/20 0.36
PTGER2 P43116 3/20 0.36
DAO P14920 1/20 0.35
HTR2A P28223 1/20 0.35
CTRC Q99895 2/20 0.34
PTGER4 P35408 2/20 0.34
PTGFR P43088 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
FEN1 P39748 1/20 0.34
PTGER1 P34995 1/20 0.33
PTGIR P43119 1/20 0.33
BCL2 P10415 1/20 0.33
BCL2L1 Q07817 1/20 0.33
CALM1 P0DP23 1/20 0.33

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
SCHEMBL29153432 0.80 MEN1 (0.44) PTGER3PTGDRTBXA2RPTGER2DAO
SCHEMBL10489995 0.79 NFE2L2 (0.43) PTGER3PTGDRTBXA2RPTGER2HTR2A
SCHEMBL19209982 0.78 PTGER3 (0.58) PTGER3PTGDRTBXA2RPTGER2PTGER4
SCHEMBL28168750 0.75 HTR2A (0.40) PTGER3PTGDRTBXA2RPTGER2DAO
SCHEMBL7735333 0.73 CALM1 (0.55) DAOHTR2ACYP1A2CYP3A4CYP2D6
SCHEMBL3811810 0.71 LMNA (0.41)
SCHEMBL28089806 0.71 HTR2A (0.42) DAOHTR2ACTRCCYP1A2CYP3A4
Formic Acid SCHEMBL27989933 0.71 BCL2 (0.45) DAOHTR2ACYP1A2CYP3A4CYP2D6
SCHEMBL10360527 0.69 HTR2A (0.54) DAOHTR2ACYP1A2CYP3A4CYP2D6
SCHEMBL7625510 0.69 APOBEC3G (0.36) PTGER3PTGDRTBXA2RPTGER2PTGER4

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-1861357-B1 NOVEL COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORP (KR) 2013-04-24 EP disclosed
US-7763657-B2 Compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same AMOREPACIFIC CORPORATION (KR) 2010-07-27 US disclosed
US-20090105258-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2009-04-23 US disclosed
EP-1861357-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2007-12-05 EP disclosed
WO-2006101318-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2006-09-28 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-20090105258-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, VIPR1 PTGER3 319/4885PTGDR 262/4885TBXA2R 323/4885

“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.