SCHEMBL405722

SCHEMBL405722

CCCOCCOCCOCCOCCOCCOCC(C)C

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.56
TDP1 Q9NUW8 1/20 0.46
USP2 O75604 1/20 0.35
HTT P42858 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
SPHK1 Q9NYA1 1/20 0.31
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.30
TSHR P16473 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
SCHEMBL405717 1.00 HSD17B10 (0.56) HSD17B10TDP1USP2HTTL3MBTL1
SCHEMBL15384684 1.00 HSD17B10 (0.56) HSD17B10TDP1USP2HTTL3MBTL1
SCHEMBL9925693 1.00 HSD17B10 (0.56) HSD17B10TDP1USP2HTTL3MBTL1
SCHEMBL130848 0.94
SCHEMBL24294996 0.93 HSD17B10 (0.50) HSD17B10TDP1USP2HTTL3MBTL1
SCHEMBL7261357 0.92 HSD17B10 (0.52) HSD17B10TDP1USP2HTTL3MBTL1
Ammonia Solution, Strong SCHEMBL10523973 0.92
SCHEMBL16247992 0.90 HSD17B10 (0.52) HSD17B10TDP1USP2HTTL3MBTL1
SCHEMBL725089 0.88 HSD17B10 (0.39) HSD17B10TDP1SPHK1MEN1KMT2A
SCHEMBL17914309 0.88 HSD17B10 (0.39) HSD17B10TDP1SPHK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120064002-A1 Enantiomer-pure (4S,8S)- and (4R,8R)-4-p-Nitrobenzyl-8-methyl-3,6,9-triaza-3N,6N,9N-tricarboxymethyl-1,11-undecanedioic Acid and Derivatives Thereof, Process for their Production and Use for the Production of Pharmaceutical Agents LEHMANN LUTZ (DE) 2012-03-15 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-20120064002-A1 Enantiomer-pure (4S,8S)- and (4R,8R)-4-p-Nitrobenzyl-8-methyl-3,6,9-triaza-3N,6N,9N-tricarboxymethyl-1,11-undecanedioic Acid and Derivatives Thereof, Process for their Production and Use for the Production of Pharmaceutical Agents CYP4B1, CYP2B6, UGT2B7 HSD17B10 524/4885TDP1 3292/4885USP2 3309/4885

“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.