SCHEMBL19212944

SCHEMBL19212944

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

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.64
CYP11B1 P15538 2/20 0.62
CYP11B2 P19099 2/20 0.62
MAPT P10636 3/20 0.59
CES2 O00748 3/20 0.58
CES1 P23141 3/20 0.58
MAOB P27338 2/20 0.51
PTGS2 P35354 2/20 0.51
MAOA P21397 1/20 0.51
RAB9A P51151 3/20 0.50
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
POLB P06746 1/20 0.48
ELANE P08246 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47

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
SCHEMBL19212992 0.93 CES2 (0.56) HPGDCYP11B1CYP11B2MAPTCES2
SCHEMBL8669129 0.85 CES2 (0.58) HPGDCYP11B1CYP11B2MAPTCES2
SCHEMBL26813754 0.84 CYP11B1 (0.48) HPGDCYP11B1CYP11B2MAPTCES2
SCHEMBL19212940 0.83 CYP11B1 (0.64) HPGDCYP11B1CYP11B2MAOBPTGS2
SCHEMBL19212935 0.81 CYP11B1 (0.64) HPGDCYP11B1CYP11B2CES2CES1
SCHEMBL349467 0.81 HPGD (0.70) HPGDCYP11B1CYP11B2MAPTCES2
SCHEMBL532765 0.81 HPGD (0.70) HPGDCYP11B1CYP11B2MAPTCES2
SCHEMBL8672089 0.80 CES2 (0.58) HPGDCYP11B1CYP11B2MAPTCES2
SCHEMBL2466074 0.78 HPGD (1.00) HPGDMAPTCES2CES1MAOB
SCHEMBL6202766 0.78 HPGD (0.66) HPGDCYP11B1CYP11B2MAPTCES2

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 HPGD 979/4885CYP11B1 84/4885CYP11B2 32/4885

“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.