SCHEMBL656662

SCHEMBL656662

O=C(O)C=C(CCc1ccc(F)cc1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 8/20 0.73
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
PLAAT3 P53816 1/20 0.48
PLAAT5 Q96KN8 1/20 0.48
PLAAT2 Q9NWW9 1/20 0.48
PLAAT4 Q9UL19 1/20 0.48
FFAR1 O14842 2/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL656660 1.00 PDPK1 (0.73) PDPK1KDM4EALDH1A1PLAAT3PLAAT5
SCHEMBL656661 1.00 PDPK1 (0.73) PDPK1KDM4EALDH1A1PLAAT3PLAAT5
SCHEMBL11254380 0.89 PDPK1 (0.79) PDPK1ALDH1A1FFAR1NPC1RAB9A
SCHEMBL2577872 0.89 PDPK1 (0.79) PDPK1ALDH1A1FFAR1NPC1RAB9A
SCHEMBL2364632 0.89 PDPK1 (0.79) PDPK1ALDH1A1FFAR1NPC1RAB9A
SCHEMBL656723 0.87 PDPK1 (0.76) PDPK1KDM4EALDH1A1FFAR1
SCHEMBL656725 0.87 PDPK1 (0.76) PDPK1KDM4EALDH1A1FFAR1
SCHEMBL656724 0.87 PDPK1 (0.76) PDPK1KDM4EALDH1A1FFAR1
SCHEMBL657640 0.86 PDPK1 (0.75) PDPK1FFAR1LMNAGAA
SCHEMBL657639 0.86 PDPK1 (0.75) PDPK1FFAR1LMNAGAA

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 12 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-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 EP 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
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 PDPK1 109/4885KDM4E 1893/4885ALDH1A1 4784/4885

“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.