SCHEMBL2306124

SCHEMBL2306124

O=CCOC(=O)C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TSHR P16473 1/20 0.36
MDM2 Q00987 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 2/20 0.35
ATM Q13315 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MIF P14174 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL7697156 0.98 ALDH1A1 (0.45) ALDH1A1ADRB2ADRB1ADRB3CES2
SCHEMBL27700166 0.91
SCHEMBL31249699 0.82 GABRA5 (0.43) ALDH1A1KMT2ASMN1; SMN2TSHRMEN1
SCHEMBL6350238 0.81 ALDH1A1 (0.44) ALDH1A1ADRB2ADRB1ADRB3CES2
Hydrochloric Acid SCHEMBL31249822 0.80 GABRA5 (0.42) ALDH1A1KMT2ASMN1; SMN2TSHRMEN1
SCHEMBL15443027 0.79 ALDH1A1 (0.46) ALDH1A1ADRB2ADRB1ADRB3CES2
SCHEMBL634058 0.79 ALDH1A1 (0.46) ALDH1A1ADRB2ADRB1ADRB3CES2
SCHEMBL15443392 0.79 ALDH1A1 (0.46) ALDH1A1ADRB2ADRB1ADRB3CES2
SCHEMBL4787371 0.79 ALDH1A1 (0.47) ALDH1A1ADRB2ADRB1ADRB3CES2
SCHEMBL15442983 0.79 ALDH1A1 (0.46) ALDH1A1ADRB2ADRB1ADRB3CES2

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 13 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-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
EP-0612524-B1 Angiotensin II antagonists for the treatment of viral diseases TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-08-26 EP disclosed
US-5750551-A ANGIOTENSIN INHIBITORS, BENZIMIDAZOLE DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-12 US disclosed
US-5605919-A PREVENTION OF CELL INJURY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-02-25 US disclosed
EP-0612524-A1 Angiotensin II antagonists for the treatment of viral diseases TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-08-31 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 (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-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, MOGAT2 ALDH1A1 802/4885ADRB2 2026/4885ADRB1 1716/4885

“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.