SCHEMBL619620

SCHEMBL619620

O/N=C1/CC2(CCC2)Oc2cc(F)ccc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.39
EGFR P00533 1/20 0.34
BRAF P15056 1/20 0.34
HSD11B1 P28845 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HTT P42858 2/20 0.33
ATM Q13315 1/20 0.33
TRPV1 Q8NER1 4/20 0.33
HTR2C P28335 2/20 0.31
CHRNA7 P36544 2/20 0.31
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30

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
SCHEMBL619621 1.00 RAD52 (0.39) RAD52EGFRBRAFHSD11B1KDM4E
SCHEMBL620252 0.89 HSD11B1 (0.44) RAD52EGFRBRAFHSD11B1KDM4E
SCHEMBL620251 0.89 HSD11B1 (0.44) RAD52EGFRBRAFHSD11B1KDM4E
SCHEMBL7825613 0.86 HSD11B1 (0.44) RAD52EGFRBRAFHSD11B1KDM4E
SCHEMBL6558688 0.86 HSD11B1 (0.44) RAD52EGFRBRAFHSD11B1KDM4E
SCHEMBL7818526 0.84 KDM4E (0.44) RAD52EGFRBRAFHSD11B1KDM4E
SCHEMBL6559980 0.84 KDM4E (0.44) RAD52EGFRBRAFHSD11B1KDM4E
SCHEMBL617133 0.83 KDM4E (0.49) RAD52EGFRBRAFKDM4EHTT
SCHEMBL617134 0.83 KDM4E (0.49) RAD52EGFRBRAFKDM4EHTT
SCHEMBL619822 0.80 KDM4E (0.43) RAD52KDM4EHTTATMHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.