SCHEMBL657322

SCHEMBL657322

COc1ccc2cc(C(=O)/C=C/c3ccccc3)ccc2c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.78
KMT2A Q03164 4/20 0.78
CYP1B1 Q16678 3/20 0.78
MAOB P27338 3/20 0.78
MAPT P10636 3/20 0.78
TNFRSF1A P19438 2/20 0.78
ALDH1A1 P00352 1/20 0.78
HSPD1 P10809 1/20 0.78
HSPE1 P61604 1/20 0.78
CYP3A4 P08684 2/20 0.72
CYP1A1 P04798 1/20 0.72
CYP1A2 P05177 1/20 0.72
CYP2D6 P10635 1/20 0.72
NPC1 O15118 3/20 0.69
BCHE P06276 2/20 0.68
NFKB1 P19838 1/20 0.68
NFKB2 Q00653 1/20 0.68
RELA Q04206 1/20 0.68
ABCG2 Q9UNQ0 3/20 0.67
F3 P13726 1/20 0.65

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
SCHEMBL657323 1.00 MEN1 (0.78) MEN1KMT2ACYP1B1MAOBMAPT
SCHEMBL5888213 0.90 CYP1B1 (0.73) MEN1KMT2ACYP1B1MAOBMAPT
SCHEMBL21122057 0.90 CYP1B1 (0.73) MEN1KMT2ACYP1B1MAOBMAPT
4'-Methoxychalcone SCHEMBL521905 0.88 MAOB (1.00) MEN1KMT2ACYP1B1MAOBMAPT
4'-Methoxychalcone SCHEMBL1675978 0.88 MAOB (1.00) MEN1KMT2ACYP1B1MAOBMAPT
SCHEMBL21679509 0.87 MAOB (0.78) MEN1KMT2ACYP1B1MAOBMAPT
SCHEMBL21679508 0.87 MAOB (0.78) MEN1KMT2ACYP1B1MAOBMAPT
SCHEMBL29869351 0.87 MAOB (0.78) MEN1KMT2ACYP1B1MAOBMAPT
SCHEMBL8987072 0.87 MAOB (1.00) MEN1KMT2ACYP1B1MAOBMAPT
SCHEMBL8987069 0.87 MAOB (1.00) MEN1KMT2ACYP1B1MAOBMAPT

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 6 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
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 MEN1 2058/4885KMT2A 1777/4885CYP1B1 4714/4885

“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.