SCHEMBL17320401

SCHEMBL17320401

COC(=O)c1cnccc1/C=C1\Cc2cc(C)c(C)cc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 4/20 0.43
▸ CES2 O00748 3/20 0.42
▸ HASPIN Q8TF76 1/20 0.42
▸ TNF P01375 3/20 0.42
▸ MIF P14174 2/20 0.40
▸ PDE4D Q08499 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL17313366 0.88 HASPIN (0.56) CES2HASPINPDE4D
SCHEMBL17313365 0.88 HASPIN (0.56) CES2HASPINPDE4D
SCHEMBL17320400 0.84 TNF (0.37) CYP19A1CES2HASPINTNFMIF
SCHEMBL17313338 0.79 TNF (0.44) CYP19A1CES2HASPINTNFPDE4D
SCHEMBL17313335 0.79 TNF (0.44) CYP19A1CES2HASPINTNFPDE4D
SCHEMBL17313252 0.78 HASPIN (0.54) CES2HASPINPDE4D
SCHEMBL17313250 0.78 HASPIN (0.54) CES2HASPINPDE4D
SCHEMBL17313258 0.78 HASPIN (0.54) CES2HASPINPDE4D
SCHEMBL17313255 0.78 HASPIN (0.54) CES2HASPINPDE4D
SCHEMBL17321166 0.75 HASPIN (0.47) CES2HASPINPDE4D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376387-B2 Oxidisable pyridine derivatives, their preparation and use as anti-alzheimer agents INSA INST NAT DES SCIENCES APPLIQUEES DE ROUEN (FR) 2016-06-28 — — US disclosed
US-20150353493-A1 OXIDISABLE PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-ALZHEIMER AGENTS INSA (INSTITUT NATIONAL DES SCIENCES APPLIQUEES DE ROUEN (FR) 2015-12-10 — — 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 (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-20150353493-A1 OXIDISABLE PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-ALZHEIMER AGENTS CBR3, CBR1, CYB5R3 CYP19A1 791/4885CES2 1391/4885HASPIN 4507/4885

“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.

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