SCHEMBL12272265

SCHEMBL12272265

COc1ccc2c(c1)CCCC(=O)C2=CC(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP24A1 Q07973 2/20 0.45
▸ MAOA P21397 3/20 0.44
▸ MAOB P27338 3/20 0.44
▸ CYP19A1 P11511 5/20 0.44
▸ CYP11B2 P19099 4/20 0.44
▸ CYP26A1 O43174 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ MIF P14174 3/20 0.42
▸ CYP11B1 P15538 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL12272262 1.00 CYP24A1 (0.45) CYP24A1MAOAMAOBCYP19A1CYP11B2
SCHEMBL12272153 0.83 CYP19A1 (0.48) MAOAMAOBCYP19A1CYP11B2CYP26A1
SCHEMBL12457871 0.83 CYP19A1 (0.48) MAOAMAOBCYP19A1CYP11B2CYP26A1
SCHEMBL115638 0.80 MAOA (0.58) MAOAMAOBCYP19A1CYP11B2
SCHEMBL7510392 0.78 METAP1 (0.54) MAOAMAOBCYP19A1CYP11B2CYP26A1
SCHEMBL1495967 0.77 MAOA (0.58) MAOAMAOB
SCHEMBL29756894 0.77 MAOA (0.58) MAOAMAOB
Sulfuric Acid SCHEMBL28143763 0.75 MAOA (0.54) MAOAMAOB
SCHEMBL27323916 0.73 MAOA (0.51) MAOAMAOBMIF
SCHEMBL1814542 0.71 MIF (0.48) CYP24A1CYP19A1CYP26A1ALDH1A1MAPT

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-2685821-A1 NUCLEAR HORMONE RECEPTOR MODULATORS AbbVie Inc. (US) 2014-01-22 — — EP disclosed
US-20120238549-A1 Nuclear Hormone Receptor Modulators ABBOTT LABORATORIES (US) 2012-09-20 — — US disclosed
WO-2012125797-A1 NUCLEAR HORMONE RECEPTOR MODULATORS ABBOTT LABORATORIES (US) 2012-09-20 — — WO 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-20120238549-A1 Nuclear Hormone Receptor Modulators NR5A1, NR5A2, NR3C2 CYP24A1 106/4885MAOA 4366/4885MAOB 4346/4885

“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.

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