SCHEMBL2305290

SCHEMBL2305290

COC(=O)C1(C=O)CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
CYP3A4 P08684 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL4872719 1.00 NPSR1 (0.45) NPSR1MAPTCYP4F2CYP4A11CYP3A4
SCHEMBL4864227 0.98 NPSR1 (0.47) NPSR1MAPTCYP4F2CYP4A11CYP3A4
SCHEMBL1971946 0.93 NPSR1 (0.42) NPSR1MAPTCYP4F2CYP4A11CYP3A4
SCHEMBL2547049 0.89
SCHEMBL2290780 0.83 NPSR1 (0.45) NPSR1MAPTCYP4F2CYP4A11CYP3A4
SCHEMBL4866927 0.81 NPSR1 (0.35) NPSR1CYP4F2CYP4A11CYP3A4MEN1
SCHEMBL11317891 0.81 NPSR1 (0.44) NPSR1MAPTCYP4F2CYP4A11CYP3A4
SCHEMBL2289949 0.80 NPSR1 (0.47) NPSR1MAPTCYP4F2CYP4A11CYP3A4
SCHEMBL11378899 0.79 NPSR1 (0.42) NPSR1MAPTCYP4F2CYP4A11CYP3A4
SCHEMBL11378895 0.79 NPSR1 (0.42) NPSR1MAPTCYP4F2CYP4A11CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350311-B1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS MADRIGAL PHARMACEUTICALS INC (US) 2013-12-25 EP claimed
US-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 US claimed
EP-2350311-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2011-08-03 EP claimed
WO-2010056506-A1 DIACYLGLYCEROL ACLYTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2010-05-20 WO claimed
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-05-06 US claimed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-104610978-B Liquid crystal compounds and liquid crystal medium containing same 石家庄诚志永华显示材料有限公司 2017-01-25 CN disclosed
EP-2970331-A1 SPIRO AZETIDINE ISOXAZOLE DERIVATIVES AND THEIR USE AS SSTR5 ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2016-01-20 EP disclosed
WO-2014142363-A1 SPIRO AZETIDINE ISOXAZOLE DERIVATIVES AND THEIR USE AS SSTR5 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-18 WO disclosed
US-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
EP-2350311-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2011-08-03 EP disclosed
WO-2010056506-A1 DIACYLGLYCEROL ACLYTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-05-06 US disclosed
US-7332485-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORP (US) 2008-02-19 US disclosed
EP-1856114-A1 BENZISOXAZOLE DERIVATIVES Pfizer, Inc. (US) 2007-11-21 EP disclosed
WO-2006090224-A1 BENZISOXAZOLE DERIVATIVES PFIZER JAPAN INC. (JP) 2006-08-31 WO disclosed
US-20060160802-A1 Peptide deformylase inhibitors GLAXO GROUP LIMITED 2006-07-20 US disclosed
WO-2005005456-A2 PEPTIDE DEFORMYLASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-01-20 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 (2 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-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, MOGAT2 NPSR1 2382/4885MAPT 4008/4885CYP4F2 792/4885
US-20060160802-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 NPSR1 3037/4885MAPT 3716/4885CYP4F2 4042/4885

“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.