SCHEMBL658624

SCHEMBL658624

O=C(O)/C=C(\CCc1ccc(-c2ccccc2)cc1)c1ccc2ccccc2c1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 6/20 0.71
FFAR1 O14842 3/20 0.49
GPR52 Q9Y2T5 1/20 0.47
PTGES O14684 3/20 0.45
ALOX5 P09917 3/20 0.45
MMP12 P39900 1/20 0.44
CYP1A2 P05177 1/20 0.43
NR1H4 Q96RI1 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ACHE P22303 1/20 0.41
NAAA Q02083 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
SCHEMBL658626 1.00 PDPK1 (0.71) PDPK1FFAR1GPR52PTGESALOX5
SCHEMBL658625 1.00 PDPK1 (0.71) PDPK1FFAR1GPR52PTGESALOX5
SCHEMBL659544 0.91 PDPK1 (0.86) PDPK1FFAR1GPR52CYP1A2NR1H4
SCHEMBL659543 0.91 PDPK1 (0.86) PDPK1FFAR1GPR52CYP1A2NR1H4
SCHEMBL659542 0.91 PDPK1 (0.86) PDPK1FFAR1GPR52CYP1A2NR1H4
SCHEMBL658856 0.88 PDPK1 (0.73) PDPK1FFAR1GPR52CYP1A2NR1H4
SCHEMBL658858 0.88 PDPK1 (0.73) PDPK1FFAR1GPR52CYP1A2NR1H4
SCHEMBL658857 0.88 PDPK1 (0.73) PDPK1FFAR1GPR52CYP1A2NR1H4
SCHEMBL10252998 0.88 PDPK1 (0.70) PDPK1FFAR1GPR52CYP1A2ACHE
SCHEMBL10287264 0.87 PDPK1 (0.68) PDPK1FFAR1GPR52CYP1A2CES1

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 14 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
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-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
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
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 109/4885FFAR1 4188/4885GPR52 2830/4885

“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.