SCHEMBL5746010

SCHEMBL5746010

CC(C)Oc1ccc(F)c(CC(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
FFAR4 Q5NUL3 11/20 0.45
KAT6A Q92794 1/20 0.43
PTGDR Q13258 1/20 0.42
MTNR1B P49286 1/20 0.42

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
SCHEMBL29431206 0.83 HSD17B10 (0.68) HSD17B10POLBFFAR4MTNR1B
SCHEMBL5743085 0.83 HSD17B10 (0.68) HSD17B10POLBFFAR4MTNR1B
SCHEMBL8372012 0.83 ALDH1A1 (0.44) ALDH1A1POLBKMT2AFFAR4MTNR1B
SCHEMBL6935709 0.81 FFAR4 (0.46) ALDH1A1POLBKMT2AFFAR4MTNR1B
SCHEMBL8589029 0.81 HSD17B10 (0.47) HSD17B10ALDH1A1POLBKMT2APTGDR
SCHEMBL16267375 0.81 PTGDR (0.59) HSD17B10ALDH1A1POLBKMT2AFFAR4
SCHEMBL20013980 0.78 HSD17B10 (0.40) HSD17B10ALDH1A1
SCHEMBL1561518 0.77 FFAR4 (0.51) HSD17B10FFAR4
SCHEMBL8619804 0.76 FFAR1 (0.55) ALDH1A1POLBFFAR4PTGDR
SCHEMBL14333582 0.76 CYP1A2 (0.49) HSD17B10ALDH1A1POLBKMT2APTGDR

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-7067529-B2 Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors HOFFMANN-LA ROCHE INC. (US) 2006-06-27 US disclosed
EP-1631551-A2 ISOQUINOLINE DERIVATIVES AND THEIR USE AS GFAT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-08 EP disclosed
US-20040259910-A1 Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors BOLIN DAVID ROBERT (US) 2004-12-23 US disclosed
WO-2004101528-A2 ISOQUINOLINE DERIVATIVES AND THEIR USE AS GFAT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 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-20040259910-A1 Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors GFPT1, GLS2, GLS HSD17B10 1199/4885ALDH1A1 1211/4885POLB 3836/4885

“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.