SCHEMBL12427701

SCHEMBL12427701

COc1ncc(-c2ccc3ccccc3c2)cc1CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 11/20 0.47
CYP11B1 P15538 10/20 0.47
FTO Q9C0B1 2/20 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
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40

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
SCHEMBL5782653 0.84 MAPT (0.59) CYP11B2CYP11B1MAPTCASP1RAB9A
SCHEMBL12427698 0.78 EGLN1 (0.45) CYP11B2CYP11B1MAPTCASP1CYP1A2
SCHEMBL5783941 0.77 PDGFRB (0.51) CYP11B2CYP11B1MAPTCASP1CYP17A1
SCHEMBL14931833 0.77 ACMSD (0.55) CYP11B2CYP11B1FTOMAPTCASP1
SCHEMBL22770848 0.77 GRIN2B (0.46)
SCHEMBL5780302 0.77 AURKA (0.60) CYP11B2CYP11B1MAPTCASP1PIK3CA
SCHEMBL12427707 0.76 SLC6A3 (0.57) CYP11B2CYP11B1FTOCYP19A1PIK3CD
SCHEMBL12427765 0.75 ERN1 (0.56) CYP11B2CYP11B1FTOMAPTCASP1
SCHEMBL12427700 0.75 MAP4K4 (0.42) MAPTCASP1PIK3CA
SCHEMBL12427696 0.75 GRIN2B (0.54) PARP1

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 CYP11B2 291/4885CYP11B1 197/4885FTO 3581/4885

“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.