SCHEMBL659762

SCHEMBL659762

O=C(O)C=C(CCc1ccc2cc(O)ccc2c1)c1ccc2ccccc2c1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 6/20 0.76
HCAR2 Q8TDS4 2/20 0.49
CYP1A2 P05177 2/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
CLK1 P49759 1/20 0.43
DYRK1A Q13627 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
ALOX5 P09917 2/20 0.43
GPR52 Q9Y2T5 1/20 0.42
FFAR1 O14842 1/20 0.41
SOX18 P35713 1/20 0.41
TOP2A P11388 1/20 0.41
TOP2B Q02880 1/20 0.41

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
SCHEMBL659761 1.00 PDPK1 (0.76) PDPK1HCAR2CYP1A2MEN1NPC1
SCHEMBL659760 1.00 PDPK1 (0.76) PDPK1HCAR2CYP1A2MEN1NPC1
SCHEMBL659542 0.94 PDPK1 (0.86) PDPK1HCAR2CYP1A2GPR52FFAR1
SCHEMBL659544 0.94 PDPK1 (0.86) PDPK1HCAR2CYP1A2GPR52FFAR1
SCHEMBL659543 0.94 PDPK1 (0.86) PDPK1HCAR2CYP1A2GPR52FFAR1
SCHEMBL656457 0.87 PDPK1 (1.00) PDPK1HCAR2CYP1A2FFAR1SOX18
SCHEMBL656456 0.87 PDPK1 (1.00) PDPK1HCAR2CYP1A2FFAR1SOX18
SCHEMBL656458 0.87 PDPK1 (1.00) PDPK1HCAR2CYP1A2FFAR1SOX18
SCHEMBL658624 0.85 PDPK1 (0.71) PDPK1CYP1A2ALOX5GPR52FFAR1
SCHEMBL658626 0.85 PDPK1 (0.71) PDPK1CYP1A2ALOX5GPR52FFAR1

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 10 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 claimed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US claimed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US claimed
EP-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP claimed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO claimed
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

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 PDPK1 109/4885HCAR2 4300/4885CYP1A2 4611/4885

“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.