SCHEMBL1658784

SCHEMBL1658784

C=C1CCc2c(O)cccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.47
MAOB P27338 2/20 0.44
BCL2L1 Q07817 2/20 0.42
BAD Q92934 1/20 0.42
CYP19A1 P11511 2/20 0.41
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA6 P23280 2/20 0.36
CA4 P22748 1/20 0.36
MAOA P21397 2/20 0.35
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 3/20 0.35
LMNA P02545 2/20 0.35
ALOX15 P16050 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ADAMTS4 O75173 1/20 0.35
EGFR P00533 1/20 0.35

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 0.88 BCL2L1 (0.53) PARP1MAOBBCL2L1BADCYP19A1
SCHEMBL1662215 0.88 BCL2L1 (0.48) PARP1MAOBBCL2L1BADCYP19A1
SCHEMBL389461 0.74 PARP1 (0.56) PARP1MAOBBCL2L1BADCYP19A1
SCHEMBL29392687 0.74 PARP1 (0.56) PARP1MAOBBCL2L1BADCYP19A1
SCHEMBL30421702 0.74 PARP10 (0.47) ALDH1A1MAPK1
SCHEMBL19030776 0.74 PARP10 (0.47) ALDH1A1MAPK1
SCHEMBL122969 0.72 BCL2L1 (0.50) PARP1MAOBBCL2L1BADCYP19A1
SCHEMBL6006940 0.70 MEN1 (0.39) PARP1MAOBMAOAALDH1A1LMNA
SCHEMBL1660157 0.69 MAOB (0.51) PARP1MAOBBCL2L1BADCYP19A1
SCHEMBL1660159 0.69 MAOB (0.51) PARP1MAOBBCL2L1BADCYP19A1

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
EP-2307394-B1 SULPHONAMIDES AS VANILLOID RECEPTOR ANTAGONIST AMOREPACIFIC CORP (KR) 2012-09-26 EP disclosed
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
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
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
EP-1401880-B1 METALLOCENE CATALYSTS CONTAINING AN INDENYL MOIETY SUBSTITUTED AT THE 4-, 5-, 6- OR 7-POSITION BY A SILOXY OR GERMYLOXY GROUP BOREALIS TECH OY (FI) 2010-11-10 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
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 PARP1 2857/4885MAOB 2733/4885BCL2L1 1464/4885

“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.