SCHEMBL7984886

SCHEMBL7984886

CCOC(=O)C(C)(C)Oc1cnc(C)cc1C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 14/20 0.48
▸ PPARA Q07869 3/20 0.46
▸ ABCB11 O95342 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ PMP22 Q01453 1/20 0.46
▸ PPARG P37231 1/20 0.40
▸ CNR2 P34972 1/20 0.35
▸ AR P10275 1/20 0.35

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
SCHEMBL7984031 0.78 UHRF1 (0.37) CYP3A4AR
SCHEMBL3372231 0.77 PPARA (0.49) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL3371452 0.75 PPARA (0.61) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL1549824 0.75 FBP1 (0.58) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL22005942 0.73 FBP1 (0.57) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL2431952 0.73 FBP1 (0.62) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL941712 0.73 FBP1 (0.57) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL7984260 0.73 TSHR (0.64) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL9701146 0.73 FBP1 (0.57) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL21991780 0.73 TSHR (0.51) FBP1PPARAABCB11CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 — — US disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 — — US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 — — US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 — — US disclosed
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 — — 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-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HSD11B1, HSD11B2, HSD3B1 FBP1 3086/4885PPARA 455/4885ABCB11 1505/4885

“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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