SCHEMBL657002

SCHEMBL657002

CCc1ccc(C(=O)/C=C/c2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 9/20 0.68
MAOB P27338 8/20 0.68
MAPT P10636 8/20 0.68
LMNA P02545 3/20 0.68
TNFRSF1A P19438 2/20 0.68
PLIN1 O60240 1/20 0.68
BCHE P06276 1/20 0.68
ACHE P22303 1/20 0.68
RECQL P46063 1/20 0.68
PLIN5 Q00G26 1/20 0.68
ABHD5 Q8WTS1 1/20 0.68
MAOA P21397 3/20 0.66
KMT2A Q03164 4/20 0.65
MEN1 O00255 2/20 0.65
HSPD1 P10809 2/20 0.65
HSPE1 P61604 2/20 0.65
CYP3A4 P08684 2/20 0.65
ALDH2 P05091 1/20 0.65
CYP19A1 P11511 1/20 0.65
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
SCHEMBL657003 1.00 CYP1B1 (0.68) CYP1B1MAOBMAPTLMNATNFRSF1A
SCHEMBL655660 0.93 MAPT (0.68) CYP1B1MAOBMAPTLMNATNFRSF1A
SCHEMBL655661 0.93 MAPT (0.68) CYP1B1MAOBMAPTLMNATNFRSF1A
SCHEMBL11994844 0.91 MAOB (0.77) MAOBMAPTLMNATNFRSF1ARECQL
SCHEMBL28850948 0.91 MAOB (0.77) MAOBMAPTLMNATNFRSF1ARECQL
SCHEMBL25207505 0.89 MAOB (0.69) CYP1B1MAOBMAPTLMNATNFRSF1A
SCHEMBL23082622 0.87 MAOB (0.71) MAOBMAPTLMNATNFRSF1ARECQL
SCHEMBL25223440 0.86 MAOB (0.66) CYP1B1MAOBMAPTLMNATNFRSF1A
SCHEMBL25194356 0.86 MAOB (0.66) CYP1B1MAOBMAPTLMNATNFRSF1A
SCHEMBL8965046 0.85 F3 (0.74) CYP1B1MAOBMAPTLMNAMAOA

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 CYP1B1 4714/4885MAOB 4512/4885MAPT 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.