SCHEMBL19212925

SCHEMBL19212925

C=C(Oc1ccc(C#N)cc1)C(=O)c1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.49
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
POLB P06746 3/20 0.42
CYP11B2 P19099 3/20 0.41
KMT2A Q03164 2/20 0.41
F2 P00734 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL19212943 0.87 CYP11B1 (0.65) CYP11B1POLBCYP11B2F2TAS1R3
SCHEMBL19212998 0.84 CYP11B1 (0.58) CYP11B1CES2CES1POLBCYP11B2
SCHEMBL19212928 0.82 CYP11B1 (0.65) CYP11B1POLBCYP11B2KMT2AF2
SCHEMBL19213005 0.80 CYP11B1 (0.67) CYP11B1CES2CES1CYP11B2SMN1; SMN2
SCHEMBL19213004 0.79 CYP11B1 (0.51) CYP11B1POLBCYP11B2KMT2AMAPT
SCHEMBL19212980 0.78 CYP11B1 (0.50) CYP11B1CES2CES1POLBCYP11B2
SCHEMBL19212981 0.78 CYP11B1 (0.67) CYP11B1POLBCYP11B2KMT2ANPSR1
SCHEMBL19213002 0.78 CYP11B1 (0.64) CYP11B1CES2CES1CYP11B2KMT2A
SCHEMBL17723876 0.77 CYP11B1 (0.80) CYP11B1CYP11B2
SCHEMBL19213009 0.76 MAOB (0.55) CYP11B1CYP11B2F2

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 84/4885CES2 1748/4885CES1 3040/4885

“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.