SCHEMBL101244

SCHEMBL101244

OCC(O)CCCCC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.45
CYP1A2 P05177 1/20 0.43
KDM5A P29375 3/20 0.38
PHF8 Q9UPP1 3/20 0.38
KDM2A Q9Y2K7 3/20 0.38
KDM4C Q9H3R0 2/20 0.38
KDM4A O75164 1/20 0.38
METAP1 P53582 1/20 0.38
EPHX1 P07099 1/20 0.37
THRB P10828 1/20 0.36
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
NMT2 O60551 1/20 0.34
NMT1 P30419 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
SCHEMBL8585482 0.98 SIGMAR1 (0.48) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL15198681 0.92 SIGMAR1 (0.41) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL15241537 0.86 SIGMAR1 (0.44) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL1111381 0.85 METAP1 (0.46) SIGMAR1CYP1A2METAP1EPHX1THRB
SCHEMBL11739573 0.83 METAP1 (0.42) SIGMAR1CYP1A2METAP1THRBALDH1A1
SCHEMBL10358404 0.81 SIGMAR1 (0.50) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL11462647 0.80 SIGMAR1 (0.50) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL30833259 0.79 SIGMAR1 (0.54) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL9122326 0.79 SIGMAR1 (0.46) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL28126617 0.78 METAP1 (0.41) SIGMAR1CYP1A2METAP1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-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 SIGMAR1 605/4885CYP1A2 551/4885KDM5A 1085/4885
US-20120052210-A1 COALESCENT FOR AQUEOUS COMPOSITIONS DGAT2, DGAT1, DAGLB SIGMAR1 804/4885CYP1A2 2037/4885KDM5A 4854/4885

“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.