SCHEMBL669128

SCHEMBL669128

CCCCCCC(C(=O)O)c1coc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.43
MAOB P27338 4/20 0.40
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
ALDH2 P05091 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL4139411 0.83 MAOB (0.45) MAOB
SCHEMBL2024342 0.78 KDM4E (0.49) CYSLTR2CYSLTR1
SCHEMBL1826965 0.78 KDM4E (0.49) CYSLTR2CYSLTR1
SCHEMBL2536987 0.78 KDM4E (0.49) CYSLTR2CYSLTR1
SCHEMBL2028355 0.78 KDM4E (0.49) CYSLTR2CYSLTR1
SCHEMBL3740930 0.78 KDM4E (0.49) CYSLTR2CYSLTR1
SCHEMBL5357939 0.78 KDM4E (0.49) CYSLTR2CYSLTR1
SCHEMBL8015861 0.78 KDM4E (0.49) CYSLTR2CYSLTR1
SCHEMBL451183 0.78 KDM4E (0.49) CYSLTR2CYSLTR1
SCHEMBL3957435 0.78 FAAH (0.45) NQO1

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-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
EP-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP disclosed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO disclosed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 EP 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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB NQO1 4438/4885MAOB 4512/4885CYSLTR2 4321/4885

“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.