SCHEMBL3618174

SCHEMBL3618174

CCC(C(=O)O)C1CCN(C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 3/20 0.36
CPB2 Q96IY4 3/20 0.36
ACE P12821 3/20 0.33
MME P08473 1/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
BRD4 O60885 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL8699140 0.84 DPP4 (0.37) CPN1CPB2ACE
SCHEMBL5198799 0.78 CPN1 (0.33) CPN1CPB2ACE
SCHEMBL7446497 0.73 CYP2D6 (0.42) CPN1CPB2PPARGPPARA
SCHEMBL7441458 0.71 CPN1 (0.47) CPN1CPB2CYP2C19
SCHEMBL1919199 0.70 CYP2D6 (0.50) CPN1CPB2ACE
SCHEMBL3541161 0.70 ACE (0.38) CPN1CPB2ACECYP2C19
SCHEMBL23480323 0.70 ACE (0.35) ACEBRD4
SCHEMBL1255171 0.69 CYP2D6 (0.56) ACE
SCHEMBL30222646 0.69 TSHR (0.38) CPN1CPB2ACEPPARA
SCHEMBL3531187 0.69 KDM4E (0.33) CPN1CPB2

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-8299092-B2 Derivatives of 2-phenyl-3-hydroxyquinoline-4(1H)-one and methods of their preparation and utilization UNIVERZITA PALACKEHO (CZ) 2012-10-30 US disclosed
US-20100022587-A1 DERIVATIVES OF 2-PHENYL-3-HYDROXYQUINOLINE-4(1H)-ONE AND METHODS OF THEIR PREPARATION AND UTILIZATION UNIVERZITA PALACKEHO (CZ) 2010-01-28 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-20100022587-A1 DERIVATIVES OF 2-PHENYL-3-HYDROXYQUINOLINE-4(1H)-ONE AND METHODS OF THEIR PREPARATION AND UTILIZATION HCCS, CBR3, CYC1 CPN1 2475/4885CPB2 3577/4885ACE 3907/4885

“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.