SCHEMBL12427698

SCHEMBL12427698

COc1ncc(-c2ccc(Cl)cc2)cc1CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.45
MAPT P10636 1/20 0.42
CASP1 P29466 1/20 0.42
AURKA O14965 1/20 0.41
TTK P33981 1/20 0.41
AURKB Q96GD4 1/20 0.41
INCENP Q9NQS7 1/20 0.41
MAP4K4 O95819 9/20 0.40
CTSA P10619 1/20 0.40
SQOR Q9Y6N5 1/20 0.40
KIT P10721 1/20 0.40
NOTUM Q6P988 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
CHRNA7 P36544 1/20 0.38
PDE5A O76074 1/20 0.38
KCNH2 Q12809 1/20 0.38
MINK1 Q8N4C8 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
SCHEMBL5782653 0.84 MAPT (0.59) MAPTCASP1AURKATTKAURKB
SCHEMBL5780302 0.83 AURKA (0.60) MAPTCASP1AURKATTKAURKB
SCHEMBL17450635 0.81 MAPT (0.49) EGLN1MAPTCASP1AURKATTK
SCHEMBL12427700 0.81 MAP4K4 (0.42) MAPTCASP1AURKATTKAURKB
SCHEMBL5783160 0.80 CYP2C9 (0.42) MAPTPDE5ACYP11B1CYP11B2
SCHEMBL22770848 0.80 GRIN2B (0.46)
SCHEMBL12427701 0.78 CYP11B2 (0.47) EGLN1MAPTCASP1CYP1A2CYP3A4
SCHEMBL17450943 0.78 FPR1 (0.43) MAPTCASP1KITCYP1A2CYP3A4
SCHEMBL5783941 0.78 PDGFRB (0.51) MAPTCASP1AURKATTKAURKB
SCHEMBL17450759 0.77 MAPT (0.51) MAPTCASP1AURKATTKAURKB

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 EGLN1 3225/4885MAPT 4551/4885CASP1 3413/4885

“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.