SCHEMBL620168

SCHEMBL620168

ON=C1CC2(CCC2)Oc2cc(OC(F)F)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
RAD52 P43351 1/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 2/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
HPGD P15428 3/20 0.33
EGFR P00533 1/20 0.33
BRAF P15056 1/20 0.33
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
CYP2C19 P33261 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP19A1 P11511 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL620167 1.00 ALDH1A1 (0.36) ALDH1A1KDM4ESMN1; SMN2RAD52HTT
SCHEMBL619821 0.84 KDM4E (0.43) ALDH1A1KDM4ESMN1; SMN2RAD52HTT
SCHEMBL619822 0.84 KDM4E (0.43) ALDH1A1KDM4ESMN1; SMN2RAD52HTT
SCHEMBL618038 0.81 KDM4E (0.49) ALDH1A1KDM4ESMN1; SMN2HTTLMNA
SCHEMBL619246 0.80 PDK2 (0.38)
SCHEMBL619247 0.80 PDK2 (0.38)
SCHEMBL619620 0.79 RAD52 (0.39) KDM4ERAD52HTTEGFRBRAF
SCHEMBL619621 0.79 RAD52 (0.39) KDM4ERAD52HTTEGFRBRAF
SCHEMBL618064 0.77 MAOB (0.52) ALDH1A1KDM4ESMN1; SMN2LMNAHPGD
SCHEMBL618063 0.77 MAOB (0.52) ALDH1A1KDM4ESMN1; SMN2LMNAHPGD

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 ALDH1A1 665/4885KDM4E 2842/4885SMN1; SMN2 3967/4885
US-20120041011-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 ALDH1A1 604/4885KDM4E 2871/4885SMN1; SMN2 3924/4885
US-20110021549-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 ALDH1A1 604/4885KDM4E 2871/4885SMN1; SMN2 3924/4885
US-20120277259-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 ALDH1A1 665/4885KDM4E 2842/4885SMN1; SMN2 3967/4885

“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.