SCHEMBL19212929

SCHEMBL19212929

C=C(Oc1ccc(Cl)cc1)C(=O)c1cccc(F)c1Cl

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 11/20 0.62
CYP11B2 P19099 6/20 0.62
ALDH1A1 P00352 2/20 0.38
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
PNLIP P16233 1/20 0.38
ALOX15 P16050 1/20 0.38
BCHE P06276 1/20 0.38
KMT2A Q03164 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
P2RX7 Q99572 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
SCHEMBL19212911 0.89 CES2 (0.53) CYP11B1CYP11B2ALDH1A1CES2CES1
SCHEMBL19212999 0.88 CYP11B1 (0.60) CYP11B1CYP11B2ALDH1A1CES2CES1
SCHEMBL19212928 0.85 CYP11B1 (0.65) CYP11B1CYP11B2ALDH1A1KMT2A
SCHEMBL19212972 0.83 CYP11B1 (0.62) CYP11B1CYP11B2CES2CES1PNLIP
SCHEMBL19212936 0.79 CYP11B1 (0.60) CYP11B1CYP11B2ALDH1A1CES2CES1
SCHEMBL19212998 0.79 CYP11B1 (0.58) CYP11B1CYP11B2ALDH1A1CES2CES1
SCHEMBL19213000 0.77 CYP11B1 (0.62) CYP11B1CYP11B2CES2CES1PNLIP
SCHEMBL17723953 0.77 CYP11B1 (1.00) CYP11B1CYP11B2
SCHEMBL30634435 0.77 CYP11B1 (1.00) CYP11B1CYP11B2
SCHEMBL7080990 0.76 CES2 (0.61) CYP11B1CYP11B2ALDH1A1CES2CES1

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 CYP11B1 84/4885CYP11B2 32/4885ALDH1A1 845/4885

“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.