SCHEMBL406617

SCHEMBL406617

CC(C)COCCOCCOCCOCCN

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SPHK2 Q9NRA0 1/20 0.31
SPHK1 Q9NYA1 1/20 0.31

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
SCHEMBL22790824 1.00 CYP3A4 (0.32) CYP3A4HSD17B10SPHK2SPHK1
SCHEMBL406109 1.00 CYP3A4 (0.32) CYP3A4HSD17B10SPHK2SPHK1
SCHEMBL14756148 1.00 CYP3A4 (0.32) CYP3A4HSD17B10SPHK2SPHK1
SCHEMBL20825495 1.00 CYP3A4 (0.32) CYP3A4HSD17B10SPHK2SPHK1
SCHEMBL3244476 0.95
SCHEMBL17914307 0.86 HSD17B10 (0.39) HSD17B10SPHK2SPHK1
SCHEMBL4373347 0.86 HSD17B10 (0.39) HSD17B10SPHK2SPHK1
SCHEMBL17914309 0.86 HSD17B10 (0.39) HSD17B10SPHK2SPHK1
SCHEMBL725089 0.86 HSD17B10 (0.39) HSD17B10SPHK2SPHK1
SCHEMBL8651797 0.86 HSD17B10 (0.39) HSD17B10SPHK2SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024112918-A1 RNA DEGRADERS AND USES THEREOF ARRAKIS THERAPEUTICS, INC. (US) 2024-05-30 WO disclosed
WO-2018102725-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS Arvinas, Inc. (US) 2018-06-07 WO disclosed
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 CYP3A4 15/4885HSD17B10 524/4885SPHK2 4500/4885

“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.