SCHEMBL1315960

SCHEMBL1315960

CC(=O)OCc1cc(Br)c(COC(C)=O)cc1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 2/20 0.41
PKM P14618 2/20 0.41
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 1/20 0.38
CA2 P00918 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 2/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 3/20 0.33
RAB9A P51151 2/20 0.33
POLB P06746 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL27796242 0.89 PKM (0.44) HSD17B10KDM4EPKMALDH1A1CYP3A4
SCHEMBL13034088 0.85 HSD17B10 (0.45) HSD17B10KDM4EPKMALDH1A1CYP3A4
SCHEMBL28788679 0.85 HSD17B10 (0.39) HSD17B10KDM4EPKMALDH1A1CYP3A4
SCHEMBL9731794 0.83 HSD17B10 (0.46) HSD17B10KDM4EPKMALDH1A1CYP3A4
SCHEMBL19683552 0.81 ALDH1A1 (0.44) HSD17B10KDM4EPKMALDH1A1CYP3A4
SCHEMBL1315783 0.81 NOTUM (0.40) HSD17B10KDM4EPKMALDH1A1CYP3A4
SCHEMBL28773420 0.79 HSD17B10 (0.41) HSD17B10KDM4EALDH1A1CYP3A4NPSR1
SCHEMBL29606534 0.79 HSD17B10 (0.41) HSD17B10KDM4EALDH1A1CYP3A4NPSR1
SCHEMBL14850042 0.78 PKM (0.41) HSD17B10KDM4EPKMALDH1A1CYP3A4
SCHEMBL21713935 0.77 FFAR4 (0.44) HSD17B10KDM4EPKMALDH1A1CYP3A4

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-20110275703-A1 SUBSTITUTED SPIROKETAL DERIVATIVES AND USE THEREOF AS THERAPEUTIC DRUG FOR DIABETES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-11-10 US disclosed
EP-2048153-A1 SUBSTITUTED SPIROKETAL DERIVATIVE AND USE THEREOF AS DRUG FOR TREATING DIABETES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-15 EP 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-20110275703-A1 SUBSTITUTED SPIROKETAL DERIVATIVES AND USE THEREOF AS THERAPEUTIC DRUG FOR DIABETES SLC5A1, OR10J3, AKR1C3 HSD17B10 699/4885KDM4E 1118/4885PKM 654/4885

“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.