SCHEMBL617867

SCHEMBL617867

ON=C1CC2(CCC2)Oc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.56
EGFR P00533 1/20 0.50
BRAF P15056 1/20 0.50
ATM Q13315 2/20 0.40
SIGMAR1 Q99720 1/20 0.38
HPGD P15428 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.36
EPHX2 P34913 1/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL620278 1.00 RAD52 (0.56) RAD52EGFRBRAFATMSIGMAR1
SCHEMBL11251401 0.97 RAD52 (0.56) RAD52EGFRBRAFATMSIGMAR1
SCHEMBL11471210 0.97 RAD52 (0.56) RAD52EGFRBRAFATMSIGMAR1
SCHEMBL918819 0.88 RAD52 (0.54) RAD52EGFRBRAFATMSIGMAR1
SCHEMBL619791 0.84 RAD52 (0.50) RAD52EGFRBRAFATMSIGMAR1
SCHEMBL2586845 0.81 SIGMAR1 (0.48) RAD52EGFRBRAFSIGMAR1EPHX2
SCHEMBL2586840 0.81 SIGMAR1 (0.48) RAD52EGFRBRAFSIGMAR1EPHX2
SCHEMBL617980 0.80 KMT2A (0.44) RAD52EGFRBRAFATMHPGD
SCHEMBL617981 0.80 KMT2A (0.44) RAD52EGFRBRAFATMHPGD
SCHEMBL619621 0.79 RAD52 (0.39) RAD52EGFRBRAFATMKDM4E

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 RAD52 4649/4885EGFR 612/4885BRAF 2243/4885
US-20120041011-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 RAD52 4642/4885EGFR 599/4885BRAF 2142/4885
US-20110021549-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 RAD52 4642/4885EGFR 599/4885BRAF 2142/4885
US-20120277259-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 RAD52 4649/4885EGFR 612/4885BRAF 2243/4885

“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.