SCHEMBL657392

SCHEMBL657392

O=C(C=Cc1cccc2ccccc12)c1ccc(Cl)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.69
CYP1B1 Q16678 4/20 0.69
CYP1A1 P04798 3/20 0.69
MAPK1 P28482 2/20 0.69
CYP1A2 P05177 2/20 0.69
CYP2D6 P10635 2/20 0.69
HPGD P15428 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
ALDH1A1 P00352 1/20 0.69
NPY1R P25929 1/20 0.69
NPY2R P49146 1/20 0.69
LMNA P02545 2/20 0.59
NPC1 O15118 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
RECQL P46063 1/20 0.59
GPR55 Q9Y2T6 1/20 0.59
ATM Q13315 1/20 0.56
HDAC8 Q9BY41 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
SCHEMBL657391 1.00 MAPT (0.69) MAPTCYP1B1CYP1A1MAPK1CYP1A2
SCHEMBL29876093 0.87 MAPT (0.77) MAPTCYP1B1CYP1A1MAPK1CYP1A2
SCHEMBL29419005 0.87 MAPT (0.77) MAPTCYP1B1CYP1A1MAPK1CYP1A2
SCHEMBL9584082 0.87 MAPT (0.77) MAPTCYP1B1CYP1A1MAPK1CYP1A2
SCHEMBL979175 0.87 MAPT (0.77) MAPTCYP1B1CYP1A1MAPK1CYP1A2
SCHEMBL7641855 0.85 MAPT (0.69) MAPTCYP1B1CYP1A1MAPK1CYP1A2
SCHEMBL14416406 0.85 MAPT (0.69) MAPTCYP1B1CYP1A1MAPK1CYP1A2
SCHEMBL2704174 0.82 CYP1A1 (1.00) MAPTCYP1B1CYP1A1MAPK1CYP1A2
SCHEMBL978654 0.82 CYP1B1 (0.65) MAPTCYP1B1CYP1A1MAPK1CYP1A2
SCHEMBL12948632 0.82 CYP1B1 (0.65) MAPTCYP1B1CYP1A1MAPK1CYP1A2

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
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 EP disclosed
EP-0212605-A2 Azolyl-cyclopropyl-ethanol derivatives, processes for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-04 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 MAPT 964/4885CYP1B1 4714/4885CYP1A1 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.