SCHEMBL657859

SCHEMBL657859

O=C(O)CC(c1ccccc1)c1occ2cc(Cl)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.39
LMNA P02545 4/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
CRHBP P24387 1/20 0.37
MAPK1 P28482 1/20 0.37
CRHR2 Q13324 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TACR1 P25103 2/20 0.36
EPHX1 P07099 1/20 0.36
CYP2C9 P11712 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CTSA P10619 2/20 0.36
GABBR2 O75899 4/20 0.35

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
SCHEMBL658472 0.85 ALDH1A1 (0.40) HSD17B10LMNAMAPTHPGDMAPK1
SCHEMBL9202387 0.79 GABBR2 (0.51) LMNAMEN1KMT2ACYP2C9CYP1A2
SCHEMBL9201731 0.75 GABBR2 (0.35) HSD17B10LMNAMAPTMEN1KMT2A
SCHEMBL657858 0.73 KMT2A (0.48) LMNAMAPTHPGDCRHBPMAPK1
SCHEMBL657973 0.72 KMT2A (0.38) LMNAMAPTHPGDMAPK1MEN1
SCHEMBL6002264 0.71 GABBR2 (0.58) HSD17B10LMNAMEN1KMT2ACYP2C9
SCHEMBL15614165 0.71 GABBR2 (0.58) HSD17B10LMNAMEN1KMT2ACYP2C9
SCHEMBL8869652 0.70 MEN1 (0.56) HPGDMEN1KMT2ATACR1CTSA
SCHEMBL10962570 0.69 TAAR1 (0.33) LMNAMAPTHPGDMAPK1MEN1
SCHEMBL18228863 0.69 TACR1 (0.58) MEN1KMT2ATACR1HTTNPSR1

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
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 HSD17B10 4284/4885LMNA 3119/4885MAPT 964/4885

“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.