SCHEMBL14062072

SCHEMBL14062072

CCOC(=O)C(C)(C)C1CCc2cc(-c3ccc([N+](=O)[O-])cc3)ccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.39
▸ MAPT P10636 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ AR P10275 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ PKM P14618 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ PRKCZ Q05513 1/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ HRH2 P25021 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ GAA P10253 2/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ DGAT1 O75907 1/20 0.35

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
SCHEMBL14062034 0.86 CYP26A1 (0.39) ALDH1A1MAPTLMNASMN1; SMN2PRKCZ
SCHEMBL17211830 0.81 PARP10 (0.39) ALDH1A1MAPTLMNASMN1; SMN2RAB9A
SCHEMBL14062006 0.80 DGAT1 (0.47) ALDH1A1MAPTLMNAARSMN1; SMN2
SCHEMBL14137074 0.80 CYP26A1 (0.46) ALDH1A1MAPTGAAKMT2A
SCHEMBL14137069 0.78 DGAT1 (0.41) ALDH1A1MAPTLMNAARSMN1; SMN2
SCHEMBL14062029 0.78 CYP24A1 (0.49) SMN1; SMN2
SCHEMBL14137073 0.75 DRD2 (0.44) —
SCHEMBL14137075 0.75 DGAT1 (0.57) MAPTLMNAHTTRAB9AKMT2A
SCHEMBL14059679 0.73 TDP2 (0.39) MAPTDGAT1
SCHEMBL14060277 0.71 TDP2 (0.41) ALDH1A1MAPTLMNARAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2723332-B1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2016-03-02 — — EP disclosed
EP-2723332-B1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2016-03-02 — — EP disclosed
US-9242929-B2 Compounds as diacylglycerol acyltransferase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-01-26 — — US disclosed
US-9242929-B2 Compounds as diacylglycerol acyltransferase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-01-26 — — US disclosed
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
US-20150307445-A1 Novel Compounds as Diacylglycerol Acyltransferase Inhibitors GlaxoSmith Kline Intellectual Property (No.2) Limited (GB) 2015-10-29 — — US disclosed
US-20150307445-A1 Novel Compounds as Diacylglycerol Acyltransferase Inhibitors GlaxoSmith Kline Intellectual Property (No.2) Limited (GB) 2015-10-29 — — US disclosed
EP-2723332-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2014-04-30 — — EP disclosed
WO-2012162127-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-11-29 — — WO disclosed
WO-2012162127-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-11-29 — — 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-20150307445-A1 Novel Compounds as Diacylglycerol Acyltransferase Inhibitors DGAT1, DGAT2, LCAT ALDH1A1 945/4885MAPT 1704/4885LMNA 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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