SCHEMBL1106823

SCHEMBL1106823

CN(C)C(=O)CCSCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 3/20 0.45
MAPT P10636 2/20 0.45
GMNN O75496 1/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
THRB P10828 1/20 0.45
CYP2C9 P11712 1/20 0.45
BLM P54132 1/20 0.45
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 4/20 0.41
BHMT Q93088 1/20 0.41
HPGD P15428 1/20 0.41
PHF8 Q9UPP1 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 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
SCHEMBL9516370 0.81 ALDH1A1 (0.52) HSD17B10LMNAKMT2ATDP1ALDH1A1
SCHEMBL10697807 0.78 BHMT (0.51) HSD17B10LMNAKMT2ATDP1ALDH1A1
SCHEMBL15948624 0.77 ALDH1A1 (0.50) HSD17B10LMNAKMT2ATDP1ALDH1A1
Danosteine SCHEMBL1578704 0.76 HSD17B10 (0.72) CYP2D6HIF1AHSD17B10MAPTGMNN
SCHEMBL18470038 0.76 ALDH1A1 (0.57) HSD17B10MAPTLMNAKMT2ATDP1
SCHEMBL13901839 0.76 ALDH1A1 (0.47) HSD17B10LMNAKMT2ATDP1ALDH1A1
SCHEMBL13241293 0.75 CYP2D6 (0.52) CYP2D6HIF1AHSD17B10MAPTGMNN
SCHEMBL8613878 0.74 ALDH1A1 (0.50) HSD17B10LMNAKMT2ATDP1ALDH1A1
Danosteine SCHEMBL11664539 0.74 HSD17B10 (0.68) CYP2D6HIF1AHSD17B10MAPTGMNN
SCHEMBL9525485 0.73 CYP2D6 (0.50) CYP2D6HIF1AHSD17B10MAPTGMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153716-B2 Dispersant for an aqueous dispersion of positively charged or chargeable solid particulates which comprises a compound having an anchoring moiety linked to a polymeric hydrophilic moiety; inkjet recording element EASTMAN KODAK COMPANY (US) 2012-04-10 US disclosed
US-8063132-B2 Coating composition comprising boehmite particles and one or more dispersants and a method of coating a substrate using said coating composition EASTMAN KODAK COMPANY (US) 2011-11-22 US disclosed
US-20080145546-A1 Dispersant For Reducing Viscosity Of Particulate Solids FPC INC. 2008-06-19 US disclosed
US-20080090012-A1 Aqueous boehmite particles of a hydrophilic polymer having a linked anchoring moiety which contains acid(s) and/or hydroxy(s); the polymeric moiety has a lower affinity for a boehmite surface than the anchoring moiety; mercaptosuccinic acid-modified polyacrylamide; ink jet; paper coating; gloss porousity KODAK PHILIPPINES LTD. 2008-04-17 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 (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-20080090012-A1 Aqueous boehmite particles of a hydrophilic polymer having a linked anchoring moiety which contains acid(s) and/or hydroxy(s); the polymeric moiety has a lower affinity for a boehmite surface than the anchoring moiety; mercaptosuccinic acid-modified polyacrylamide; ink jet; paper coating; gloss porousity CD44, MPST, BHMT2 CYP2D6 2304/4885HIF1A 912/4885HSD17B10 1910/4885

“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.