SCHEMBL19212951

SCHEMBL19212951

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

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.66
CYP11B2 P19099 7/20 0.66
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
TMPRSS4 Q9NRS4 1/20 0.41
GAA P10253 1/20 0.40
CES2 O00748 1/20 0.40
SCN8A Q9UQD0 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
TLR8 Q9NR97 1/20 0.40
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
PPARG P37231 4/20 0.38
PPARA Q07869 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
SCHEMBL19212975 0.92 CYP11B1 (0.66) CYP11B1CYP11B2MEN1LMNAMAPT
SCHEMBL19212936 0.86 CYP11B1 (0.60) CYP11B1CYP11B2LMNAMAPTKMT2A
SCHEMBL19213000 0.84 CYP11B1 (0.62) CYP11B1CYP11B2LMNACES2MAOA
SCHEMBL26813738 0.82 CYP11B1 (0.52) CYP11B1CYP11B2LMNAMAPTCES2
SCHEMBL17723862 0.80 CYP11B1 (1.00) CYP11B1CYP11B2GAA
SCHEMBL19212935 0.80 CYP11B1 (0.64) CYP11B1CYP11B2CES2PPARGPPARA
SCHEMBL19212999 0.78 CYP11B1 (0.60) CYP11B1CYP11B2LMNAKMT2ACES2
SCHEMBL19213002 0.75 CYP11B1 (0.64) CYP11B1CYP11B2KMT2ACES2
SCHEMBL19212929 0.73 CYP11B1 (0.62) CYP11B1CYP11B2KMT2ACES2PPARG
SCHEMBL19212911 0.73 CES2 (0.53) CYP11B1CYP11B2KMT2ACES2PPARG

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 32/4885MEN1 202/4885

“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.