SCHEMBL12427765

SCHEMBL12427765

COc1ncc(-c2ccc3ccccc3c2)cc1C=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.56
PIK3CD O00329 2/20 0.44
PIK3CA P42336 2/20 0.44
PIK3CB P42338 2/20 0.44
PIK3CG P48736 2/20 0.44
CYP11B2 P19099 6/20 0.43
CYP11B1 P15538 5/20 0.43
MAPT P10636 1/20 0.42
CASP1 P29466 1/20 0.42
CYP17A1 P05093 3/20 0.42
CYP19A1 P11511 3/20 0.42
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
FTO Q9C0B1 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL12427762 0.84 MAPT (0.59) ERN1PIK3CGMAPTCASP1ALDH1A1
SCHEMBL12427764 0.78 ERN1 (0.54) ERN1PIK3CAMAPTCASP1ALDH1A1
SCHEMBL5782678 0.77 ERN1 (0.61) ERN1CYP11B2CYP11B1MAPTCASP1
SCHEMBL14931833 0.77 ACMSD (0.55) PIK3CDPIK3CAPIK3CBPIK3CGCYP11B2
SCHEMBL5781823 0.77 AURKA (0.60) ERN1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6092630 0.76 PIK3CD (0.58) ERN1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12427707 0.76 SLC6A3 (0.57) PIK3CDPIK3CAPIK3CBPIK3CGCYP11B2
SCHEMBL12427758 0.75 ERN1 (0.42) ERN1PIK3CAMAPTCASP1ALDH1A1
SCHEMBL12427701 0.75 CYP11B2 (0.47) PIK3CDPIK3CAPIK3CBPIK3CGCYP11B2
SCHEMBL12427761 0.75 GRIN2B (0.47) MAPTALDH1A1GAAPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461183-B2 PPAR agonist compounds, preparation and uses GENFIT (FR) 2013-06-11 US disclosed
EP-2310371-B1 PPAR AGONIST COMPOUNDS AND PREPARATION AND USES THEREOF FOR TREATING DIABETES AND/OR DYSLIPIDEMIA GENFIT (FR) 2013-05-15 EP disclosed
EP-2310371-B1 PPAR AGONIST COMPOUNDS AND PREPARATION AND USES THEREOF FOR TREATING DIABETES AND/OR DYSLIPIDEMIA GENFIT (FR) 2013-05-15 EP disclosed
US-20110195993-A1 PPAR AGONIST COMPOUNDS, PREPARATION AND USES GENFIT (FR) 2011-08-11 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-20110195993-A1 PPAR AGONIST COMPOUNDS, PREPARATION AND USES PPARD, PPARA, PPARG ERN1 2876/4885PIK3CD 597/4885PIK3CA 436/4885

“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.