SCHEMBL1662215

SCHEMBL1662215

C=C1CCCc2c(O)cccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.48
BAD Q92934 1/20 0.48
PARP1 P09874 1/20 0.44
MAOB P27338 2/20 0.38
CYP19A1 P11511 2/20 0.36
BRD4 O60885 1/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA6 P23280 2/20 0.34
CA4 P22748 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 3/20 0.33
TSHR P16473 2/20 0.33
MAOA P21397 2/20 0.33
KDM4E B2RXH2 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
ADRA2A P08913 1/20 0.33
LMNA P02545 2/20 0.32

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
SCHEMBL14241314 0.96 BCL2L1 (0.53) BCL2L1BADPARP1MAOBCYP19A1
SCHEMBL1658784 0.88 PARP1 (0.47) BCL2L1BADPARP1MAOBCYP19A1
SCHEMBL12657972 0.76 PARP1 (0.44) PARP1BRD4ALDH1A1HPGDHSD17B10
SCHEMBL24459353 0.76 SRD5A1 (0.39) CYP19A1DRD2DRD3MAPK1
SCHEMBL17192145 0.76 PARP10 (0.44) ALDH1A1HSD17B10KDM4EMAPK1
SCHEMBL388480 0.76 PARP1 (0.53) BCL2L1BADPARP1MAOBCYP19A1
SCHEMBL14431629 0.76 BCL2L1 (0.48) BCL2L1BADPARP1MAOBCYP19A1
SCHEMBL21772776 0.74 PARP1 (0.51) BCL2L1BADPARP1MAOBCYP19A1
SCHEMBL13268713 0.73 HPGD (0.50) BCL2L1BADPARP1MAOBHPGD
SCHEMBL14120724 0.72 BCL2L1 (0.53) BCL2L1BADPARP1MAOBCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307394-B1 SULPHONAMIDES AS VANILLOID RECEPTOR ANTAGONIST AMOREPACIFIC CORP (KR) 2012-09-26 EP disclosed
US-20110152318-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2011-06-23 US disclosed
EP-2307394-A2 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2011-04-13 EP disclosed
WO-2010002209-A2 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2010-01-07 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-20110152318-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 BCL2L1 1464/4885BAD 584/4885PARP1 2857/4885

“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.