SCHEMBL1507183

SCHEMBL1507183

CC(C)(C)OB(O)c1ccccc1.OBO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 4/20 0.39
ORAI1 Q96D31 3/20 0.39
ORAI2 Q96SN7 3/20 0.39
ORAI3 Q9BRQ5 3/20 0.39
PCSK9 Q8NBP7 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
ENPP2 Q13822 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CES1 P23141 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 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
SCHEMBL26452 0.94 TRPV6 (0.44) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL25376692 0.79 TRPV6 (0.42) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL119711 0.76 TRPV6 (0.39) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL10057608 0.76 MGLL (0.44) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL8925345 0.75 ENPP2 (0.46) CA4CA5AENPP2CA14CA5B
SCHEMBL5952636 0.74 TRPV6 (0.38) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL483731 0.72 TRPV6 (0.45) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL8515033 0.72 TRPV6 (0.44) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL26451 0.72 TRPV6 (0.40) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL5951344 0.71 TRPV6 (0.38) TRPV6ORAI1ORAI2ORAI3PCSK9

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
EP-2257515-B1 1,4-NAPHTHOQUINONE DERIVATIVES AND THERAPEUTIC USE THEREOF CENTRE NAT RECH SCIENT (FR) 2017-05-17 EP disclosed
US-9090549-B2 1,4-naphthoquinones derivatives and therapeutic use thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2015-07-28 US disclosed
US-20110059972-A1 1,4-NAPHTHOQUINONES DERIVATIVES AND THERAPEUTIC USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-03-10 US disclosed
EP-2257515-A1 1,4-NAPHTHOQUINONE DERIVATIVES AND THERAPEUTIC USE THEREOF Centre National de la Recherche Scientifique (FR) 2010-12-08 EP disclosed
WO-2009118327-A1 1,4-NAPHTHOQUINONE DERIVATIVES AND THERAPEUTIC USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2009-10-01 WO 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 (1 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-20110059972-A1 1,4-NAPHTHOQUINONES DERIVATIVES AND THERAPEUTIC USE THEREOF NQO1, NDUFV2, RECQL TRPV6 4306/4885ORAI1 4152/4885ORAI2 3448/4885

“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.