SCHEMBL657528

SCHEMBL657528

O=C(C=Cc1ccc(-c2ccccc2)cc1)c1ccc2ccccc2c1

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 3/20 0.82
CYP1A2 P05177 3/20 0.69
CYP1A1 P04798 2/20 0.69
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
CYP3A4 P08684 2/20 0.61
PTPN1 P18031 1/20 0.61
CYP2D6 P10635 1/20 0.60
ABCB1 P08183 1/20 0.58
ABCG2 Q9UNQ0 1/20 0.58
POLB P06746 1/20 0.57
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
NPC1 O15118 1/20 0.55
CYP2C19 P33261 1/20 0.55
RAB9A P51151 1/20 0.55

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
SCHEMBL657527 1.00 CYP1B1 (0.82) CYP1B1CYP1A2CYP1A1MEN1KMT2A
SCHEMBL6913489 0.91 CYP3A4 (0.74) CYP1B1CYP1A2CYP1A1MEN1KMT2A
SCHEMBL658562 0.91 CYP1B1 (1.00) CYP1B1CYP1A2CYP1A1MEN1KMT2A
SCHEMBL658561 0.91 CYP1B1 (1.00) CYP1B1CYP1A2CYP1A1MEN1KMT2A
SCHEMBL29639743 0.91 CYP1B1 (1.00) CYP1B1CYP1A2CYP1A1MEN1KMT2A
SCHEMBL29805401 0.91 CYP1B1 (1.00) CYP1B1CYP1A2CYP1A1MEN1KMT2A
SCHEMBL656428 0.87 CYP1B1 (0.81) CYP1B1CYP1A2CYP1A1MEN1KMT2A
SCHEMBL656427 0.87 CYP1B1 (0.81) CYP1B1CYP1A2CYP1A1MEN1KMT2A
SCHEMBL976912 0.85 CYP1B1 (0.71) CYP1B1CYP1A2CYP1A1MEN1KMT2A
SCHEMBL12306205 0.85 CYP1B1 (0.71) CYP1B1CYP1A2CYP1A1MEN1KMT2A

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 7 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
US-6762318-B2 CARBOXYLIC ACID OR TETRAZOLE DERIVATIZED SECONDARY AMIDES; ORAL ADMINISTRATION NOVO NORDISK A/S (DK) 2004-07-13 US disclosed
US-20030236292-A1 Stimulant releasing glucose from liver cells; antidiabetic agents PFIZER INC 2003-12-25 US 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 (2 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-20030236292-A1 Stimulant releasing glucose from liver cells; antidiabetic agents GPR119, GLP1R, GIPR CYP1B1 3336/4885CYP1A2 2522/4885CYP1A1 2559/4885
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB CYP1B1 4714/4885CYP1A2 4611/4885CYP1A1 4763/4885

“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.