SCHEMBL617971

SCHEMBL617971

O=C1CC2(CCC2)Oc2ccc(OC3CCCC3)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.54
ATM Q13315 4/20 0.53
HTT P42858 1/20 0.53
ALDH1A1 P00352 10/20 0.51
HPGD P15428 7/20 0.51
CASP1 P29466 4/20 0.48
HSD17B10 Q99714 4/20 0.48
CASP7 P55210 3/20 0.48
GAA P10253 7/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GLA P06280 5/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 1/20 0.42
THRB P10828 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 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
SCHEMBL619691 0.90 KDM4E (0.45) KDM4EATMHTTALDH1A1HPGD
SCHEMBL620079 0.81 HRH3 (0.42) KDM4EALDH1A1HPGDCASP1HSD17B10
SCHEMBL620080 0.81 HRH3 (0.42) KDM4EALDH1A1HPGDCASP1HSD17B10
SCHEMBL620146 0.81 KDM4E (0.63) KDM4EATMHTTALDH1A1HPGD
SCHEMBL9444279 0.77 KDM4E (0.68) KDM4EATMHTTALDH1A1HPGD
SCHEMBL11112861 0.75 KDM4E (0.73) KDM4EATMHTTALDH1A1HPGD
SCHEMBL4351260 0.74 KDM4E (0.76) KDM4EATMHTTALDH1A1HPGD
SCHEMBL619247 0.74 PDK2 (0.38) CYP2D6KCNH2HRH3
SCHEMBL619246 0.74 PDK2 (0.38) CYP2D6KCNH2HRH3
SCHEMBL11109552 0.74 KDM4E (0.63) KDM4EATMHTTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (4 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-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.