SCHEMBL7988932

SCHEMBL7988932

CCOC(=O)C(C)(C)Oc1ccc(Cl)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
PPARA Q07869 2/20 0.54
ABCB11 O95342 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
HTR2A P28223 1/20 0.54
PMP22 Q01453 1/20 0.54
FBP1 P09467 8/20 0.50
LMNA P02545 1/20 0.50
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ESRRA P11474 4/20 0.43
FFAR1 O14842 1/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
PPARG P37231 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL5102873 0.84 FBP1 (0.49) TSHRPPARAABCB11CYP1A2CYP3A4
SCHEMBL4423002 0.82 PPARA (0.59) TSHRPPARAABCB11CYP1A2CYP3A4
SCHEMBL1417873 0.81 KDM4E (0.62) TSHRPPARACYP1A2CYP3A4LMNA
SCHEMBL581322 0.77 TSHR (0.64) TSHRPPARAABCB11CYP1A2CYP3A4
SCHEMBL12804549 0.77 PPARA (0.56) TSHRPPARAABCB11CYP1A2CYP3A4
SCHEMBL9034965 0.77 FBP1 (0.61) TSHRPPARAABCB11CYP1A2CYP3A4
SCHEMBL4111678 0.76 FBP1 (0.58) TSHRPPARAABCB11CYP1A2CYP3A4
SCHEMBL3585865 0.76 FBP1 (0.60) TSHRPPARAABCB11CYP1A2CYP3A4
SCHEMBL12670956 0.76 TSHR (0.51) TSHRCYP3A4LMNANPC1RAB9A
SCHEMBL4681650 0.75 FBP1 (0.54) TSHRPPARAABCB11CYP1A2CYP3A4

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 TSHR 690/4885PPARA 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.