SCHEMBL17211809

SCHEMBL17211809

C=C(/C=C\C(=C)[N+](=O)[O-])c1ccc2c(c1)CCC(O)(CC(=O)OCC)C2(OC)OC

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KARS1 Q15046 1/20 0.31

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
SCHEMBL17211811 0.80 ALDH1A1 (0.31) ALDH1A1GAAMAPT
SCHEMBL17211807 0.80 ALDH1A1 (0.33) ALDH1A1GAAMAPT
SCHEMBL17211817 0.78 DGAT1 (0.35) ALDH1A1GAAMAPT
SCHEMBL14062361 0.76 SMN1; SMN2 (0.41) ALDH1A1GAAMAPT
SCHEMBL17211822 0.74 KDM1A (0.33) KARS1
SCHEMBL17211799 0.74 MAPT (0.31) ALDH1A1GAAMAPT
SCHEMBL17211806 0.71 PDE4D (0.31) KARS1
SCHEMBL17211802 0.70 ESR2 (0.34) MAPT
SCHEMBL17211815 0.66 ALDH1A1 (0.35) ALDH1A1GAAMAPT
SCHEMBL14137112 0.65 AKR1B1 (0.40) ALDH1A1GAAMAPT

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-9242929-B2 Compounds as diacylglycerol acyltransferase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-01-26 — — US disclosed
US-20150307445-A1 Novel Compounds as Diacylglycerol Acyltransferase Inhibitors GlaxoSmith Kline Intellectual Property (No.2) Limited (GB) 2015-10-29 — — 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-20150307445-A1 Novel Compounds as Diacylglycerol Acyltransferase Inhibitors DGAT1, DGAT2, LCAT ALDH1A1 945/4885GAA 452/4885MAPT 1704/4885

“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.

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