SCHEMBL3406500

SCHEMBL3406500

O=C(O)CC1CCc2ccccc2C1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.58
PREP P48147 9/20 0.52
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP19A1 P11511 1/20 0.49
ITGB3 P05106 3/20 0.48
ITGA2B P08514 3/20 0.48
HTR1A P08908 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
MTNR1A P48039 3/20 0.46
MTNR1B P49286 3/20 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
SCHEMBL7292707 1.00 DGAT1 (0.58) DGAT1PREPALDH1A1POLBMAPT
SCHEMBL30612421 1.00 DGAT1 (0.58) DGAT1PREPALDH1A1POLBMAPT
SCHEMBL7304447 1.00 DGAT1 (0.58) DGAT1PREPALDH1A1POLBMAPT
Hydrochloric Acid SCHEMBL7389195 0.98 DGAT1 (0.56) DGAT1PREPALDH1A1POLBMAPT
Hydrochloric Acid SCHEMBL7393121 0.98 DGAT1 (0.56) DGAT1PREPALDH1A1POLBMAPT
SCHEMBL29633587 0.87 DGAT1 (0.47) DGAT1PREPALDH1A1POLBMAPT
SCHEMBL1340255 0.87 DGAT1 (0.47) DGAT1PREPALDH1A1POLBMAPT
SCHEMBL30612420 0.84 PREP (0.51) PREPCYP19A1MTNR1AMTNR1B
SCHEMBL1726797 0.84 PREP (0.51) PREPCYP19A1MTNR1AMTNR1B
SCHEMBL15599123 0.83 DGAT1 (0.56) DGAT1PREPALDH1A1POLBMAPT

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2916839-A2 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Glaxosmithkline LLC (US) 2015-09-16 EP claimed
WO-2014074761-A2 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-05-15 WO claimed
WO-2016126572-A2 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-08-11 WO disclosed
EP-2916839-A2 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Glaxosmithkline LLC (US) 2015-09-16 EP disclosed
WO-2014081995-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-05-30 WO disclosed
WO-2014074761-A2 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-05-15 WO disclosed
EP-2723332-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2014-04-30 EP disclosed
US-8487121-B2 Chromane derivatives as TRPV3 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2013-07-16 US disclosed
WO-2012162127-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-11-29 WO disclosed
US-20100311778-A1 CHROMANE DERIVATIVES AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2010-12-09 US disclosed
EP-2254879-A2 CHROMANE DERIVATIVES AS TRPV3 MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2010-12-01 EP disclosed
US-4097674-A ANTIINFLAMMATORY, ANTIPYRETIC, ANTIPRURITIC AGENTS, ANALGESICS SYNTEX CORPORATION (US) 1978-06-27 US disclosed
US-4051233-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (US) 1977-09-27 US disclosed
US-4048330-A Compositions containing 2-(6'-substituted-2'-naphthyl)acetic acid esters used for treating inflammation, pain or pyrexia SYNTEX CORPORATION (US) 1977-09-13 US disclosed
US-4009197-A 2-(6-Substituted-2'-naphthyl) acetic acid derivatives and the salts and esters thereof SYNTEX CORPORATION (PM) 1977-02-22 US disclosed
US-4001301-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, ANTI-PRURITIC SYNTEX CORPORATION (PM) 1977-01-04 US disclosed
US-3998966-A Anti-inflammatory, analgesic, anti-pyretic and anti-pruritic 6-substituted 2-naphthyl acetic acid derivative-containing compositions and methods of use thereof SYNTEX CORPORATION (PM) 1976-12-21 US disclosed
US-3980699-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (PM) 1976-09-14 US disclosed
US-3978124-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 US disclosed
US-3978116-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 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-20100311778-A1 CHROMANE DERIVATIVES AS TRPV3 MODULATORS TRPV3, TRPV2, TRPV1 DGAT1 1811/4885PREP 4592/4885ALDH1A1 3317/4885

“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.