SCHEMBL4883516

SCHEMBL4883516

COc1ccc(C(=O)C(=CN(C)C)Oc2ccc(F)cc2)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 16/20 0.62
CYP11B2 P19099 12/20 0.61
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KMT2A Q03164 1/20 0.45

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
SCHEMBL14197359 1.00 CYP11B1 (0.62) CYP11B1CYP11B2NPC1RAB9ASMN1; SMN2
SCHEMBL14197361 0.89 CYP11B1 (0.67) CYP11B1CYP11B2NPC1RAB9AKMT2A
SCHEMBL17723918 0.88 CYP11B1 (0.76) CYP11B1CYP11B2
SCHEMBL30634442 0.88 CYP11B1 (0.76) CYP11B1CYP11B2
SCHEMBL14197367 0.82 CYP11B1 (0.65) CYP11B1CYP11B2
SCHEMBL4882029 0.82 CYP11B1 (0.65) CYP11B1CYP11B2
SCHEMBL17723916 0.77 CYP11B1 (1.00) CYP11B1CYP11B2
SCHEMBL17714232 0.76 CYP11B1 (1.00) CYP11B1CYP11B2
SCHEMBL17714229 0.76 CYP11B1 (1.00) CYP11B1CYP11B2
SCHEMBL19212977 0.76 CYP11B1 (1.00) CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090880-A1 3-(2-Hydroxyphenyl) Pyrazoles and Thier Use as Hsp90 Modulators MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-04-17 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-20080090880-A1 3-(2-Hydroxyphenyl) Pyrazoles and Thier Use as Hsp90 Modulators HSP90AB1, HSP90AA1, HSP90AB2P CYP11B1 630/4885CYP11B2 733/4885NPC1 1840/4885

“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.