SCHEMBL19212911

SCHEMBL19212911

C=C(Oc1ccc(Cl)cc1)C(=O)c1cccc(F)c1F

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.53
CES1 P23141 3/20 0.53
BCHE P06276 1/20 0.53
CYP11B1 P15538 10/20 0.49
CYP11B2 P19099 5/20 0.49
DRD2 P14416 1/20 0.39
ALDH1A1 P00352 2/20 0.38
PNLIP P16233 1/20 0.38
ALOX15 P16050 1/20 0.38
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL19212929 0.89 CYP11B1 (0.62) CES2CES1BCHECYP11B1CYP11B2
SCHEMBL19212972 0.89 CYP11B1 (0.62) CES2CES1BCHECYP11B1CYP11B2
SCHEMBL19212999 0.88 CYP11B1 (0.60) CES2CES1CYP11B1CYP11B2ALDH1A1
SCHEMBL19212980 0.82 CYP11B1 (0.50) CES2CES1BCHECYP11B1CYP11B2
SCHEMBL19212936 0.79 CYP11B1 (0.60) CES2CES1CYP11B1CYP11B2ALDH1A1
SCHEMBL19212998 0.79 CYP11B1 (0.58) CES2CES1CYP11B1CYP11B2ALDH1A1
SCHEMBL19213000 0.77 CYP11B1 (0.62) CES2CES1CYP11B1CYP11B2DRD2
SCHEMBL30634461 0.77 CYP11B1 (0.82) CYP11B1CYP11B2
SCHEMBL17714162 0.77 CYP11B1 (0.82) CYP11B1CYP11B2
SCHEMBL17714245 0.77 CYP11B1 (0.82) CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3212636-B1 NEW PYRIDINYLOXY- AND PHENYLOXY-PYRAZOLYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2023-11-29 EP disclosed
US-9790217-B2 Pyridinyloxy- and phenyloxy-pyrazolyl compounds HOFFMANN-LA ROCHE INC. (US) 2017-10-17 US disclosed
US-20170226097-A1 PYRIDINYLOXY- AND PHENYLOXY-PYRAZOLYL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2017-08-10 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-20170226097-A1 PYRIDINYLOXY- AND PHENYLOXY-PYRAZOLYL COMPOUNDS PDXK, PNPO, PAH CES2 1748/4885CES1 3040/4885BCHE 4179/4885

“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.