SCHEMBL620381

SCHEMBL620381

O=C1CC2(CCC2)Oc2ccc(Cl)cc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.64
ATM Q13315 3/20 0.62
HTT P42858 1/20 0.62
ACACB O00763 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
HDAC3 O15379 4/20 0.45
HDAC4 P56524 4/20 0.45
HDAC1 Q13547 4/20 0.45
HDAC7 Q8WUI4 4/20 0.45
HDAC2 Q92769 4/20 0.45
HDAC10 Q969S8 4/20 0.45
HDAC11 Q96DB2 4/20 0.45
HDAC8 Q9BY41 4/20 0.45
HDAC6 Q9UBN7 4/20 0.45
HDAC9 Q9UKV0 4/20 0.45
HDAC5 Q9UQL6 4/20 0.45
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44

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
SCHEMBL4351287 0.95 KDM4E (0.69) KDM4EATMHTTACACBL3MBTL1
SCHEMBL617446 0.88 KDM4E (0.52) KDM4EATMHTTACACBL3MBTL1
SCHEMBL4255249 0.87 HDAC3 (0.57) KDM4EATMHTTACACBHDAC3
Hydrochloric Acid SCHEMBL3496125 0.85 HDAC3 (0.56) KDM4EATMHTTACACBHDAC3
SCHEMBL11107269 0.84 KDM4E (0.56) KDM4EATMHTTACACBL3MBTL1
SCHEMBL23957151 0.83 HDAC3 (0.55) KDM4EATMHTTACACBL3MBTL1
Hydrochloric Acid SCHEMBL31020827 0.82 HDAC3 (0.54) KDM4EATMHTTACACBL3MBTL1
Hydrochloric Acid SCHEMBL23928850 0.82 HDAC3 (0.54) KDM4EATMHTTACACBL3MBTL1
SCHEMBL23957106 0.81 HDAC3 (0.58) KDM4EATMHTTACACBL3MBTL1
SCHEMBL619674 0.81 KDM4E (0.64) KDM4EATMHTTL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492568-B2 Chromane derivatives as TRPV3 modulators Glenmark Pharamceuticals S.A. (CH) 2013-07-23 US disclosed
EP-1931681-B1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS SA (CH) 2012-11-14 EP disclosed
US-20120277259-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-11-01 US disclosed
US-20120041011-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-02-16 US disclosed
US-20110098316-A1 CHROMANE DERIVATIVES AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-04-28 US disclosed
US-20110021549-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-01-27 US disclosed
US-7842703-B2 Substituted benzofused derivatives and their use as vanilloid receptor ligands GLENMARK PHARMACEUTICALS S.A. (CH) 2010-11-30 US disclosed
US-20080269253-A1 Substituted Benzofused Derivatives and Their Use as Vanilloid Receptor Ligands GLENMARK PHARMACEUTICALS, S.A. (CH) 2008-10-30 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 (5 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-20080269253-A1 Substituted Benzofused Derivatives and Their Use as Vanilloid Receptor Ligands TRPV1, GPR17, TRPV6 KDM4E 2842/4885ATM 3827/4885HTT 3509/4885
US-20110098316-A1 CHROMANE DERIVATIVES AS TRPV3 MODULATORS TRPV3, TRPV2, TRPV1 KDM4E 3467/4885ATM 3192/4885HTT 1781/4885
US-20120041011-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 KDM4E 2871/4885ATM 3850/4885HTT 3060/4885
US-20110021549-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 KDM4E 2871/4885ATM 3850/4885HTT 3060/4885
US-20120277259-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 KDM4E 2842/4885ATM 3827/4885HTT 3509/4885

“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.