SCHEMBL12670823

SCHEMBL12670823

CCOC(=O)C(C)(C)Oc1ccccc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 8/20 0.56
PPARA Q07869 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
ABCB11 O95342 1/20 0.53
TSHR P16473 1/20 0.53
HTR2A P28223 1/20 0.53
PMP22 Q01453 1/20 0.53
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 2/20 0.47
PLIN1 O60240 1/20 0.47
LMNA P02545 1/20 0.47
PLIN5 Q00G26 1/20 0.47
ABHD5 Q8WTS1 1/20 0.47
PPARG P37231 1/20 0.45
GAA P10253 1/20 0.44
PIN1 Q13526 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL4111678 0.85 FBP1 (0.58) FBP1PPARACYP1A2CYP3A4ABCB11
SCHEMBL7981278 0.84 FBP1 (0.60) FBP1PPARACYP1A2CYP3A4ABCB11
SCHEMBL3485006 0.83 FBP1 (0.55) FBP1PPARACYP1A2CYP3A4ABCB11
SCHEMBL14092161 0.83 FBP1 (0.55) FBP1PPARACYP1A2CYP3A4ABCB11
SCHEMBL4423002 0.83 PPARA (0.59) FBP1PPARACYP1A2CYP3A4ABCB11
SCHEMBL6080653 0.82 FBP1 (0.45) FBP1PPARACYP1A2CYP3A4ABCB11
SCHEMBL1549946 0.82 PPARA (0.48) FBP1PPARACYP1A2CYP3A4ABCB11
SCHEMBL15460021 0.82 PPARA (0.55) FBP1PPARACYP1A2CYP3A4ABCB11
SCHEMBL4681650 0.81 FBP1 (0.54) FBP1PPARACYP1A2CYP3A4ABCB11
SCHEMBL31745119 0.81 FBP1 (0.54) FBP1PPARACYP1A2CYP3A4ABCB11

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 4 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

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 455/4885CYP1A2 320/4885

“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.