SCHEMBL19212936

SCHEMBL19212936

C=C(Oc1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1F

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.60
CYP11B2 P19099 8/20 0.60
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 2/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL19213000 0.91 CYP11B1 (0.62) CYP11B1CYP11B2MAOBMAOACES2
SCHEMBL19212975 0.89 CYP11B1 (0.66) CYP11B1CYP11B2MAOBMAOACES2
SCHEMBL26813738 0.89 CYP11B1 (0.52) CYP11B1CYP11B2MAOBMAOACES2
SCHEMBL19212951 0.86 CYP11B1 (0.66) CYP11B1CYP11B2MAOBMAOACES2
SCHEMBL19212999 0.85 CYP11B1 (0.60) CYP11B1CYP11B2CES2CES1LMNA
SCHEMBL19212929 0.79 CYP11B1 (0.62) CYP11B1CYP11B2CES2CES1PPARG
SCHEMBL19212911 0.79 CES2 (0.53) CYP11B1CYP11B2CES2CES1PPARG
SCHEMBL19212921 0.77 CYP11B1 (0.63) CYP11B1CYP11B2RAB9AMAPTLMNA
SCHEMBL19212916 0.77 ABCG2 (0.56) CYP11B1CYP11B2MAPTLMNANPC1
SCHEMBL19212972 0.77 CYP11B1 (0.62) CYP11B1CYP11B2CES2CES1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 32/4885MAOB 450/4885

“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.