SCHEMBL101962

SCHEMBL101962

CCCCC(CC)COCC(O)COCC(CC)CCCC

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.56
ALDH1A1 P00352 7/20 0.51
TSHR P16473 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ATM Q13315 1/20 0.50
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP14 P50281 1/20 0.46
CA2 P00918 3/20 0.44
RECQL P46063 1/20 0.41
USP2 O75604 1/20 0.41
HTT P42858 1/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL9341214 0.98 CYP3A4 (0.55) CYP3A4ALDH1A1TSHRTDP1L3MBTL1
SCHEMBL11275344 0.98 CYP3A4 (0.55) CYP3A4ALDH1A1TSHRTDP1L3MBTL1
SCHEMBL13651676 0.94 CYP3A4 (0.61) CYP3A4ALDH1A1TSHRTDP1L3MBTL1
SCHEMBL13492264 0.94 CYP3A4 (0.51) CYP3A4ALDH1A1TSHRTDP1L3MBTL1
SCHEMBL12582075 0.94 CYP3A4 (0.55) CYP3A4ALDH1A1TSHRTDP1L3MBTL1
SCHEMBL14446057 0.94 CYP3A4 (0.55) CYP3A4ALDH1A1TSHRTDP1L3MBTL1
SCHEMBL28063729 0.93 CYP3A4 (0.54) CYP3A4ALDH1A1TSHRTDP1L3MBTL1
SCHEMBL11049515 0.93 CYP3A4 (0.64) CYP3A4ALDH1A1TSHRTDP1L3MBTL1
SCHEMBL19665024 0.93 ALDH1A1 (0.53) CYP3A4ALDH1A1TSHRTDP1L3MBTL1
SCHEMBL11203998 0.93 CYP3A4 (0.50) CYP3A4ALDH1A1TSHRTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0334956-A1 HEMOLYSIS INHIBITOR AND MEDICAL RESIN COMPOSITION, MEDICAL IMPLEMENT, AND BLOOD-PRESERVING FLUID CONTAINING THE SAME Kao Corporation (JP) 1989-10-04 EP claimed
EP-2277849-B1 PROCESS FOR THE PREPARATION OF 1-ALKYL GLYCEROL ETHERS SCHUELKE & MAYR GMBH (DE) 2019-08-07 EP disclosed
EP-2402302-B1 PROCESS FOR PRODUCING ETHER COMPOUND KAO CORP (JP) 2017-11-22 EP disclosed
US-8877983-B2 Process for the preparation of 1-alkyl glycerol ethers L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2014-11-04 US 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
EP-2277849-A1 Process for the preparation of 1-alkyl glycerol ethers L'AIR LIQUIDE, Société Anonyme pour l'Etude et l'Exploitation des Procédés Georges Claude (FR) 2011-01-26 EP disclosed
US-20110009676-A1 PROCESS FOR THE PREPARATION OF 1-ALKYL GLYCEROL ETHERS L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGE (FR) 2011-01-13 US 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
EP-0334956-A1 HEMOLYSIS INHIBITOR AND MEDICAL RESIN COMPOSITION, MEDICAL IMPLEMENT, AND BLOOD-PRESERVING FLUID CONTAINING THE SAME Kao Corporation (JP) 1989-10-04 EP disclosed
US-4198204-A ADDING AN ANIONIC AND/OR NONIONIC ALIPHATIC SURFACTANT HOECHST AKTIENGESELLSCHAFT (DE) 1980-04-15 US disclosed
US-4153561-A Conditioning agent HOECHST AKTIENGESELLSCHAFT (DE) 1979-05-08 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 (5 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 CYP3A4 277/4885ALDH1A1 3977/4885TSHR 4862/4885
US-20120004470-A1 PROCESS FOR PRODUCING ETHER COMPOUND CYP4F11, CYP4A11, RPS14 CYP3A4 34/4885ALDH1A1 2958/4885TSHR 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 CYP3A4 133/4885ALDH1A1 692/4885TSHR 3945/4885
US-20110009676-A1 PROCESS FOR THE PREPARATION OF 1-ALKYL GLYCEROL ETHERS GK, UGCG, DEGS1 CYP3A4 192/4885ALDH1A1 546/4885TSHR 3019/4885
US-20120052210-A1 COALESCENT FOR AQUEOUS COMPOSITIONS DGAT2, DGAT1, DAGLB CYP3A4 2516/4885ALDH1A1 3271/4885TSHR 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.