SCHEMBL17211799

SCHEMBL17211799

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

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.31
▸ MEN1 O00255 3/20 0.31
▸ LMNA P02545 3/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ SMN1; SMN2 Q16637 3/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ ALDH1A1 P00352 3/20 0.30
▸ GAA P10253 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL17211817 0.91 DGAT1 (0.35) MAPTLMNASMN1; SMN2ALDH1A1GAA
SCHEMBL17211807 0.84 ALDH1A1 (0.33) MAPTALDH1A1GAA
SCHEMBL17211811 0.82 ALDH1A1 (0.31) MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL17211801 0.75 SMN1; SMN2 (0.43) MAPTLMNASMN1; SMN2ALDH1A1HTT
SCHEMBL17211809 0.74 ALDH1A1 (0.31) MAPTALDH1A1GAA
SCHEMBL17211803 0.73 TDP2 (0.44) MAPTMEN1LMNAKMT2AMAPK1
SCHEMBL10341539 0.72 SMN1; SMN2 (0.47) LMNASMN1; SMN2ALDH1A1GAA
SCHEMBL17211815 0.70 ALDH1A1 (0.35) MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL17460906 0.70 DGAT1 (0.40) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL17211802 0.69 ESR2 (0.34) MAPTMEN1KMT2AHTTCYP1A2

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 MAPT 1704/4885MEN1 4075/4885LMNA 3751/4885

“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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