SCHEMBL14020667

SCHEMBL14020667

CCCCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 4/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ THRB P10828 1/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ ASAH2 Q9NR71 1/20 0.52
▸ ASAH1 Q13510 2/20 0.50
▸ PLA2G4A P47712 3/20 0.46
▸ DEGS1 O15121 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ TLR2 O60603 1/20 0.44

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
SCHEMBL5774529 0.88 TP53 (0.54) CETPKMT2ATHRBMEN1ASAH2
SCHEMBL574816 0.84 KMT2A (0.64) KMT2ATLR2
SCHEMBL7132449 0.78 KMT2A (0.75) KMT2AASAH1TLR2
SCHEMBL26512839 0.78 TLR2 (0.61) KMT2ATLR2
SCHEMBL4572008 0.77 KMT2A (0.73) KMT2AMEN1TLR2
SCHEMBL13587937 0.77 KMT2A (0.45) KMT2ATLR2
SCHEMBL17701303 0.77 CETP (0.82) CETPKMT2ATHRBMEN1ASAH2
SCHEMBL17701304 0.77 CETP (0.82) CETPKMT2ATHRBMEN1ASAH2
SCHEMBL8236471 0.76 KMT2A (0.70) KMT2A
SCHEMBL24032894 0.76 CETP (1.00) CETPKMT2ATHRBMEN1ASAH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080262254-A1 Sphingolipids ETTMAYER PETER 2008-10-23 — — US disclosed
US-20080262254-A1 Sphingolipids ETTMAYER PETER 2008-10-23 — — 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-20080262254-A1 Sphingolipids SGMS2, SGMS1, SGPL1 CETP 239/4885KMT2A 2656/4885THRB 4785/4885

“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.

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