SCHEMBL10318908

SCHEMBL10318908

CCOC(=O)c1cc(OC)c(COC)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.58
CA12 O43570 4/20 0.56
CA1 P00915 4/20 0.56
CA2 P00918 4/20 0.56
CA7 P43166 4/20 0.56
CA9 Q16790 4/20 0.56
CA14 Q9ULX7 4/20 0.56
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
UBE2N P61088 1/20 0.46
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 4/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 4/20 0.45

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
SCHEMBL10318729 0.86 HSD17B2 (0.61) HSD17B2CA12CA1CA2CA7
SCHEMBL10317700 0.85 HSD17B2 (0.59) HSD17B2CA12CA1CA2CA7
Ethyltrimethoxy Benzoate SCHEMBL4410910 0.81 KMT2A (0.66) HSD17B2CA12CA1CA2CA7
SCHEMBL582920 0.81 HSD17B2 (0.68) HSD17B2CA12CA1CA2CA7
SCHEMBL7930668 0.79 HSD17B2 (0.61) HSD17B2CA12CA1CA2CA7
SCHEMBL10317176 0.79 HSD17B2 (0.61) HSD17B2CA12CA1CA2CA7
SCHEMBL1458301 0.79 HSD17B2 (0.61) HSD17B2CA12CA1CA2CA7
SCHEMBL7930661 0.79 HSD17B2 (0.61) HSD17B2CA12CA1CA2CA7
SCHEMBL10318645 0.79 CA12 (0.60) CA12CA1CA2CA7CA9
SCHEMBL8836968 0.78 HSD17B2 (0.69) HSD17B2CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2481725-B1 SUBSTITUTED AMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2015-03-04 EP disclosed
US-8815920-B2 Substituted amide compound ASTELLAS PHARMA INC. (JP) 2014-08-26 US disclosed
CN-102548965-B Substituted amide compounds ASTELLAS PHARMA INC 2014-04-09 CN disclosed
US-8669246-B2 Substituted amide compound ASTELLAS PHARMA INC. (JP) 2014-03-11 US disclosed
US-20130231320-A1 SUBSTITUTED AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-09-05 US disclosed
EP-2481725-A1 SUBSTITUTED AMIDE COMPOUND Astellas Pharma Inc. (JP) 2012-08-01 EP disclosed
US-20120184521-A1 SUBSTITUTED AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-07-19 US disclosed
CN-102548965-A Substituted amide compounds ASTELLAS PHARMA INC 2012-07-04 CN 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 (2 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-20120184521-A1 SUBSTITUTED AMIDE COMPOUND LPAR1, LPAR2, LPAR3 HSD17B2 1714/4885CA12 1544/4885CA1 1167/4885
US-20130231320-A1 SUBSTITUTED AMIDE COMPOUND LPAR1, LPAR2, LPAR3 HSD17B2 1916/4885CA12 1554/4885CA1 1246/4885

“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.