SCHEMBL8536553

SCHEMBL8536553

Cc1ccc2c(c1)CCC(CC(=O)O)C2=O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.57
ITGB3 P05106 12/20 0.54
ITGA2B P08514 12/20 0.54
CYP26A1 O43174 3/20 0.50
METAP1 P53582 1/20 0.48
PPARD Q03181 1/20 0.46
CYP24A1 Q07973 2/20 0.46
CYP27A1 Q02318 1/20 0.46
CYP19A1 P11511 1/20 0.46

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
SCHEMBL4622497 0.84 CYP26A1 (0.70) DGAT1ITGB3ITGA2BCYP26A1CYP24A1
SCHEMBL17195438 0.84 CYP24A1 (0.46) DGAT1ITGB3ITGA2BCYP26A1METAP1
SCHEMBL10341531 0.83 CYP26A1 (0.59) DGAT1ITGB3ITGA2BCYP26A1CYP19A1
SCHEMBL8534684 0.82 DGAT1 (0.50) DGAT1ITGB3ITGA2BCYP26A1PPARD
SCHEMBL4621871 0.82 CYP24A1 (0.68) DGAT1ITGB3ITGA2BCYP26A1METAP1
SCHEMBL14060281 0.81 DGAT1 (0.84) DGAT1ITGB3ITGA2B
SCHEMBL8531913 0.81 CHRM2 (0.48) DGAT1CYP26A1METAP1
SCHEMBL16503293 0.81 PPARD (0.65) PPARD
SCHEMBL14567149 0.81 PPARD (0.65) PPARD
SCHEMBL16503302 0.81 PPARD (0.65) PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624174-B2 Compounds as diacylglycerol acyltransferase inhibitors GLAXOSMITHKLINE LLC (US) 2017-04-18 US disclosed
US-20160068487-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE LLC 2016-03-10 US disclosed
US-9242929-B2 Compounds as diacylglycerol acyltransferase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-01-26 US disclosed
US-9221766-B2 Compounds as diacylglycerol acyltransferase inhibitors GLAXOSMITHKLINE LLC (US) 2015-12-29 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-20150299138-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE LLC 2015-10-22 US disclosed
US-20070054902-A1 Isoxazole derivatives as peroxisome proliferator-activated receptors agonists SHIONOGI & CO., LTD. (JP) 2007-03-08 US disclosed
US-20070054902-A1 Isoxazole derivatives as peroxisome proliferator-activated receptors agonists SHIONOGI & CO., LTD. (JP) 2007-03-08 US disclosed
US-5847159-A 1- ω-(3,4-dihydro-2-naphthalenyl)alkyl!-cyclic amine derivatives, process for preparing the same, and pharmaceutical composition containing the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1998-12-08 US disclosed
EP-0825180-A1 1-OMEGA-(3,4-DIHYDRO-2-NAPHTHALENYL)ALKYL] CYCLIC AMINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1998-02-25 EP 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 (4 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-20150299138-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT1, DGAT2, LCAT DGAT1 1/4885ITGB3 2673/4885ITGA2B 3109/4885
US-20150307445-A1 Novel Compounds as Diacylglycerol Acyltransferase Inhibitors DGAT1, DGAT2, LCAT DGAT1 1/4885ITGB3 3896/4885ITGA2B 3648/4885
US-20160068487-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT1, DGAT2, LCAT DGAT1 1/4885ITGB3 2673/4885ITGA2B 3109/4885
US-20070054902-A1 Isoxazole derivatives as peroxisome proliferator-activated receptors agonists NR1H3, NR1H2, RXRA DGAT1 977/4885ITGB3 3109/4885ITGA2B 3687/4885

“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.