SCHEMBL7994922

SCHEMBL7994922

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HSD17B10 Q99714 1/20 0.49
MGLL Q99685 1/20 0.48
PPARA Q07869 12/20 0.46
KMT2A Q03164 3/20 0.46
CYP2C19 P33261 2/20 0.46
MEN1 O00255 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
PPARG P37231 7/20 0.43
PPARD Q03181 4/20 0.42
CYP2C9 P11712 1/20 0.42
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
FABP2 P12104 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
CES2 O00748 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
SCHEMBL10200330 0.83 KMT2A (0.40) ALDH1A1MGLLPPARAKMT2AMAPT
SCHEMBL1417573 0.81 PPARA (0.43) KDM4EALDH1A1HSD17B10PPARAKMT2A
SCHEMBL3369745 0.79 KDM4E (0.60) KDM4EALDH1A1HSD17B10MGLLPPARA
SCHEMBL7995224 0.79 PPARA (0.42) PPARAKMT2ACYP2C19MEN1CYP1A2
SCHEMBL12670979 0.79 ADORA2A (0.41) KDM4EALDH1A1MGLLKMT2AMAPT
SCHEMBL23871139 0.78 PPARA (0.55) KDM4EALDH1A1HSD17B10MGLLPPARA
SCHEMBL29306632 0.78 PPARA (0.51) PPARAKMT2ACYP2C19MEN1CYP1A2
SCHEMBL7994918 0.78 PPARA (0.53) KDM4EALDH1A1HSD17B10PPARACYP1A2
SCHEMBL5800645 0.77 PPARA (0.55) KDM4EALDH1A1HSD17B10MGLLPPARA
SCHEMBL27176519 0.75 KMT2A (0.40) ALDH1A1MGLLKMT2A

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 KDM4E 3912/4885ALDH1A1 359/4885HSD17B10 19/4885

“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.