SCHEMBL12272153

SCHEMBL12272153

C/C=C1/C(=O)CCCc2cc(OC)ccc21

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 5/20 0.48
▸ CYP11B2 P19099 4/20 0.48
▸ MIF P14174 5/20 0.46
▸ MAOA P21397 2/20 0.45
▸ MAOB P27338 2/20 0.45
▸ CYP11B1 P15538 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ METAP1 P53582 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CYP26A1 O43174 1/20 0.44

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
SCHEMBL12457871 1.00 CYP19A1 (0.48) CYP19A1CYP11B2MIFMAOAMAOB
SCHEMBL115638 0.84 MAOA (0.58) CYP19A1CYP11B2MAOAMAOBMETAP1
SCHEMBL12272265 0.83 CYP24A1 (0.45) CYP19A1CYP11B2MIFMAOAMAOB
SCHEMBL12272262 0.83 CYP24A1 (0.45) CYP19A1CYP11B2MIFMAOAMAOB
SCHEMBL7510392 0.83 METAP1 (0.54) CYP19A1CYP11B2MIFMAOAMAOB
SCHEMBL1495967 0.81 MAOA (0.58) MAOAMAOBMETAP1
SCHEMBL29756894 0.81 MAOA (0.58) MAOAMAOBMETAP1
SCHEMBL12457444 0.80 PARP10 (0.45) MAOAMAOBMEN1KMT2AMETAP1
SCHEMBL14373969 0.80 CYP19A1 (0.65) CYP19A1CYP11B2MIFCYP11B1ALDH1A1
Sulfuric Acid SCHEMBL28143763 0.79 MAOA (0.54) MAOAMAOB

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 6 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
US-20120238549-A1 Nuclear Hormone Receptor Modulators ABBOTT LABORATORIES (US) 2012-09-20 — — US 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
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 CYP19A1 34/4885CYP11B2 58/4885MIF 487/4885

“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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