SCHEMBL7994918

SCHEMBL7994918

CCOC(=O)C(C)(C)Oc1c(F)cccc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.53
TSHR P16473 2/20 0.53
ABCB11 O95342 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
HTR2A P28223 1/20 0.53
PMP22 Q01453 1/20 0.53
PPARG P37231 2/20 0.48
FBP1 P09467 6/20 0.46
NLRP3 Q96P20 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
PIN1 Q13526 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MMP8 P22894 1/20 0.39
LMNA P02545 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL16792351 0.85 FBP1 (0.49) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL1417528 0.84 PPARA (0.49) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL25932763 0.83 PPARA (0.55) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL29306631 0.81 PPARA (0.57) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL1417843 0.81 PPARA (0.47) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL7994922 0.78 KDM4E (0.49) PPARATSHRCYP1A2CYP3A4PPARG
SCHEMBL7988059 0.77 PPARA (0.61) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL10200330 0.76 KMT2A (0.40) PPARAALDH1A1
SCHEMBL1417870 0.75 PPARA (0.71) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL12670824 0.75 PPARA (0.62) PPARATSHRABCB11CYP1A2CYP3A4

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 PPARA 455/4885TSHR 690/4885ABCB11 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.