SCHEMBL1507181

SCHEMBL1507181

CC(C)(C)c1ccccc1B(O)O.OBO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
CA2 P00918 1/20 0.43
ENPP2 Q13822 2/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
RBP4 P02753 1/20 0.34
ORAI1 Q96D31 1/20 0.33
ORAI2 Q96SN7 1/20 0.33
ORAI3 Q9BRQ5 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KIF11 P52732 1/20 0.32
LIPE Q05469 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32

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
SCHEMBL26450 0.93 ALDH1A1 (0.52) TDP1ALDH1A1TSHRCA2ENPP2
SCHEMBL30038787 0.93 ALDH1A1 (0.52) TDP1ALDH1A1TSHRCA2ENPP2
SCHEMBL3426499 0.87 ALDH1A1 (0.46) TDP1ALDH1A1TSHRCA2ENPP2
SCHEMBL28107367 0.79 ENPP2 (0.71) TDP1ALDH1A1TSHRCA2ENPP2
SCHEMBL15011081 0.77 ENPP2 (0.41) TDP1ALDH1A1TSHRCA2ENPP2
SCHEMBL1507182 0.76 ALDH1A1 (0.41) TDP1ALDH1A1TSHRCA2ENPP2
SCHEMBL3419277 0.76 ENPP2 (0.43) TDP1ALDH1A1TSHRCA2ENPP2
SCHEMBL20975383 0.76 ENPP2 (0.40) TDP1ALDH1A1TSHRCA2ENPP2
SCHEMBL6048537 0.76 ENPP2 (0.40) TDP1ALDH1A1TSHRCA2ENPP2
SCHEMBL31360869 0.74 CA2 (0.48) TDP1ALDH1A1TSHRCA2ENPP2

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 TDP1 3196/4885ALDH1A1 539/4885TSHR 4223/4885

“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.