SCHEMBL14062117

SCHEMBL14062117

C=CCC1CCc2cc(-c3ccc([N+](=O)[O-])cc3)ccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.42
▸ CYP26A1 O43174 8/20 0.41
▸ TDP2 O95551 2/20 0.37
▸ DRD2 P14416 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ CYP19A1 P11511 2/20 0.35
▸ PGR P06401 1/20 0.34
▸ CYP24A1 Q07973 3/20 0.33
▸ ACHE P22303 2/20 0.33
▸ CYP27A1 Q02318 1/20 0.33
▸ BCHE P06276 1/20 0.33

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
SCHEMBL14060277 0.78 TDP2 (0.41) DGAT1CYP26A1TDP2CRBNPGR
SCHEMBL14062006 0.76 DGAT1 (0.47) DGAT1CYP26A1
SCHEMBL17211818 0.75 METAP1 (0.48) CYP26A1CYP19A1CYP24A1CYP27A1
SCHEMBL14061976 0.75 CYP26A1 (0.64) CYP26A1CYP19A1CYP24A1
SCHEMBL14059679 0.75 TDP2 (0.39) DGAT1TDP2DRD2HTR2APGR
SCHEMBL14137069 0.75 DGAT1 (0.41) DGAT1CYP26A1DRD2HTR2A
SCHEMBL8200552 0.72 CYP24A1 (0.61) CYP26A1DRD2HTR2ACYP19A1CYP24A1
SCHEMBL8199811 0.72 CYP26A1 (0.47) DGAT1CYP26A1CYP19A1CYP24A1
SCHEMBL9534253 0.71 CYP19A1 (0.55) CYP26A1CYP19A1ACHE
SCHEMBL14062000 0.70 TDP2 (0.38) DGAT1TDP2DRD2HTR2APGR

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 DGAT1 1/4885CYP26A1 861/4885TDP2 3936/4885

“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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