SCHEMBL101525

SCHEMBL101525

CCCCC(CC)COCC(CO)OCC(CC)CCCC

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
CYP3A4 P08684 6/20 0.50
TSHR P16473 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP14 P50281 1/20 0.42
CA2 P00918 3/20 0.40
LMNA P02545 3/20 0.39
RECQL P46063 1/20 0.38
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35

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
SCHEMBL3811503 0.98 ALDH1A1 (0.55) ALDH1A1CYP3A4TSHRTDP1ATM
SCHEMBL102775 0.91 ALDH1A1 (0.59) ALDH1A1CYP3A4TSHRTDP1ATM
SCHEMBL3811504 0.89 ALDH1A1 (0.53) ALDH1A1CYP3A4TSHRTDP1ATM
SCHEMBL8345288 0.89 CYP3A4 (0.56) ALDH1A1CYP3A4TSHRTDP1ATM
Ether SCHEMBL3811500 0.88 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHRTDP1ATM
SCHEMBL125981 0.87 ALDH1A1 (0.55) ALDH1A1CYP3A4TSHRTDP1ATM
SCHEMBL1527142 0.87 CYP3A4 (0.53) ALDH1A1CYP3A4MMP9MMP8MMP14
Alcohol SCHEMBL2450700 0.85 ALDH1A1 (0.60) ALDH1A1CYP3A4TSHRTDP1ATM
SCHEMBL29209616 0.83 ALDH1A1 (0.72) ALDH1A1CYP3A4TSHRTDP1ATM
SCHEMBL8024375 0.83 CYP3A4 (0.58) ALDH1A1CYP3A4TSHRTDP1ATM

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-2402302-B1 PROCESS FOR PRODUCING ETHER COMPOUND KAO CORP (JP) 2017-11-22 EP disclosed
US-8829229-B2 Polyol ethers and process for making them DOW GLOBAL TECHNOLOGIES LLC (US) 2014-09-09 US disclosed
EP-2318346-B1 POLYOL ETHERS AND PROCESS FOR MAKING THEM DOW GLOBAL TECHNOLOGIES LLC (US) 2013-11-20 EP disclosed
EP-2426099-A1 Coalescent for aqueous compositions Rohm and Haas Company (US) 2012-03-07 EP disclosed
US-20120052210-A1 COALESCENT FOR AQUEOUS COMPOSITIONS VAN DYK ANTONY KEITH (US) 2012-03-01 US disclosed
US-20120004470-A1 PROCESS FOR PRODUCING ETHER COMPOUND KAO CORPORATION (JP) 2012-01-05 US disclosed
EP-2402302-A1 PROCESS FOR PRODUCING ETHER COMPOUND Kao Corporation (JP) 2012-01-04 EP disclosed
WO-2011106194-A2 PROCESS FOR MAKING POLYOL ETHERS DOW GLOBAL TECHNOLOGIES LLC (US) 2011-09-01 WO disclosed
US-20110207969-A1 PROCESS FOR MAKING POLYOL ETHERS DOW GLOBAL TECHNOLOGIES LLC 2011-08-25 US disclosed
EP-2318346-A1 POLYOL ETHERS AND PROCESS FOR MAKING THEM Dow Global Technologies LLC (US) 2011-05-11 EP disclosed
WO-2010027663-A1 POLYOL ETHERS AND PROCESS FOR MAKING THEM DOW GLOBAL TECHNOLOGIES INC. (US) 2010-03-11 WO disclosed
US-20100048940-A1 reductive etherification of a polyol with an aldehyde or ketone using a hydrogenation catalyt; resulting compounds have use as solvents, surfactants, degreasers, wetting agents, emulsifying agents, lubricants, and intermediates for surfactants; polyols can be from renewable raw materials DOW GLOBAL TECHNOLOGIES LLC 2010-02-25 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 (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-20110207969-A1 PROCESS FOR MAKING POLYOL ETHERS PUF60, PARG, PCBP1 ALDH1A1 3977/4885CYP3A4 277/4885TSHR 4862/4885
US-20120004470-A1 PROCESS FOR PRODUCING ETHER COMPOUND CYP4F11, CYP4A11, RPS14 ALDH1A1 2958/4885CYP3A4 34/4885TSHR 3761/4885
US-20100048940-A1 reductive etherification of a polyol with an aldehyde or ketone using a hydrogenation catalyt; resulting compounds have use as solvents, surfactants, degreasers, wetting agents, emulsifying agents, lubricants, and intermediates for surfactants; polyols can be from renewable raw materials RNF114, USP14, USP13 ALDH1A1 692/4885CYP3A4 133/4885TSHR 3945/4885
US-20120052210-A1 COALESCENT FOR AQUEOUS COMPOSITIONS DGAT2, DGAT1, DAGLB ALDH1A1 3271/4885CYP3A4 2516/4885TSHR 4669/4885

“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.