SCHEMBL1621444

SCHEMBL1621444

CC(C)C(=O)CCC(=O)OCCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.43
ADRA1A P35348 1/20 0.43
MAPT P10636 2/20 0.42
BLM P54132 1/20 0.42
MGLL Q99685 1/20 0.40
DGKA P23743 1/20 0.36
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTR2C P28335 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
ACHE P22303 1/20 0.32
DNM1 Q05193 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.30
DUSP3 P51452 1/20 0.30

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
SCHEMBL25644938 0.86 HTR2C (0.41) ADRA2AADRA1AMAPTBLMMGLL
SCHEMBL14990807 0.85 ADRA2A (0.48) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL14191480 0.83 DGKA (0.45) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL475320 0.82 ADRA2A (0.52) ADRA2AADRA1AMAPTBLMMGLL
SCHEMBL2701641 0.82 CYP19A1 (0.44) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL25579770 0.82 ADRA2A (0.42) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL29309550 0.80 ADRA2A (0.73) ADRA2AADRA1AMAPTBLMTSHR
SCHEMBL12873361 0.79 TSHR (0.48) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL4388016 0.78 CYP1A2 (0.48) MAPTTSHRALDH1A1CYP4F2CYP4A11
SCHEMBL15141277 0.78 ADRA2A (0.38) ADRA2AADRA1AMAPTBLMMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3126424-B1 ALIPHATIC POLYCARBONATE POLYOL COMPOSITIONS SAUDI ARAMCO TECH CO (SA) 2020-09-30 EP disclosed
US-20160206588-A1 STABILIZED FORMULATIONS OF FATTY ACIDS MYCELL TECHNOLOGIES LLC (US) 2016-07-21 US disclosed
US-20150164843-A1 STABILIZED FORMULATIONS OF FATTY ACIDS MYCELL TECHNOLOGIES LLC (US) 2015-06-18 US disclosed
US-8927043-B2 Stabilized formulations of fatty acids Mycell Technologies (US) 2015-01-06 US disclosed
US-20140039052-A1 FORMULATIONS OF LIPOPHILIC BIOACTIVE MOLECULES NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2014-02-06 US disclosed
US-20120088829-A1 Formulations of Ubiquinol and Resveratrol Esters MyCell Holdings Limited 2012-04-12 US disclosed
US-20110118351-A1 Stabilized Formulations of Fatty Acids MyCell Holdings Limited 2011-05-19 US disclosed
US-7887835-B2 for vascular lesion imaging and for diagnosing arteriosclerosis, ischemia with X-ray angiography and positron emission tomography; fluorinated steroid ester, glyceride compounds, phosphatidylcholine, and phosphatidylserine as membrane components of liposome FUJIFILM CORPORATION (JP) 2011-02-15 US disclosed
US-20100279413-A1 APPLICATIONS OF UBIQUINONES AND UBIQUINOLS ZYMES, LLC 2010-11-04 US disclosed
US-20100080785-A1 DRIED FORMULATIONS ZYMES, LLC (US) 2010-04-01 US disclosed
US-20080254188-A1 Storage stability; contains water soluble reducing agent preventing chemical degradation; contains solubilizing agent such as polyoxyethylene glycol with dibasic acid linked sterol, tocopherol and/or ubiquinol; beverages NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2008-10-16 US disclosed
US-20080138285-A1 Compound comprising a fluorine-substituted alkyl group and a liposome contrast medium comprising the compound FUJIFILM CORPORATION (JP) 2008-06-12 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 (7 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-20080138285-A1 Compound comprising a fluorine-substituted alkyl group and a liposome contrast medium comprising the compound PHOSPHO1, SGMS1, SGMS2 ADRA2A 1638/4885ADRA1A 1544/4885MAPT 3322/4885
US-20110118351-A1 Stabilized Formulations of Fatty Acids FABP4, FABP2, FABP1 ADRA2A 3978/4885ADRA1A 4088/4885MAPT 1953/4885
US-20100080785-A1 DRIED FORMULATIONS NDUFV3, NDUFA3, NDUFAF3 ADRA2A 4207/4885ADRA1A 4154/4885MAPT 3382/4885
US-20150164843-A1 STABILIZED FORMULATIONS OF FATTY ACIDS FABP4, FABP2, FABP1 ADRA2A 3978/4885ADRA1A 4088/4885MAPT 1953/4885
US-20120088829-A1 Formulations of Ubiquinol and Resveratrol Esters COQ8A, COQ8B, NDUFA8 ADRA2A 4611/4885ADRA1A 4543/4885MAPT 940/4885
US-20140039052-A1 FORMULATIONS OF LIPOPHILIC BIOACTIVE MOLECULES LIPA, LIPC, CEL ADRA2A 3295/4885ADRA1A 3247/4885MAPT 3844/4885
US-20160206588-A1 STABILIZED FORMULATIONS OF FATTY ACIDS FABP4, FABP2, FABP1 ADRA2A 3978/4885ADRA1A 4088/4885MAPT 1953/4885

“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.