SCHEMBL17756261

SCHEMBL17756261

CC(C)(C)CCn1cc(C(=O)O)c(C(F)(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
KLKB1 P03952 7/20 0.36
DGAT1 O75907 1/20 0.36
MPO P05164 1/20 0.35
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL17756264 0.82 KDM4E (0.45) GAADGAT1ALDH1A1
SCHEMBL1194806 0.81 DGAT1 (0.41) GAAPOLBLMNAKLKB1DGAT1
SCHEMBL21408546 0.81 GAA (0.44) GAAPOLBLMNAKLKB1DGAT1
SCHEMBL21408586 0.81 LMNA (0.39) GAAPOLBLMNAKLKB1DGAT1
SCHEMBL17756265 0.80 GAA (0.39) GAAPOLBLMNAKLKB1
SCHEMBL1864411 0.80 GAA (0.38) GAAPOLBLMNAKLKB1DGAT1
SCHEMBL353314 0.79 GAA (0.56) GAAPOLBLMNANPC1PKM
SCHEMBL19182678 0.79 GAA (0.56) GAAPOLBLMNANPC1PKM
SCHEMBL28740668 0.79 GAA (0.44) GAAPOLBLMNAKLKB1DGAT1
Hydrochloric Acid SCHEMBL8355477 0.78 GAA (0.55) GAAPOLBLMNANPC1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2016-05-19 US disclosed
US-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2016-05-19 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-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF CYP3A7, CYP2C19, CYP3A5 GAA 1153/4885POLB 3827/4885LMNA 4195/4885

“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.