SCHEMBL13997511

SCHEMBL13997511

CCCCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](O)[C@H](C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ EPHX2 P34913 2/20 0.43
▸ CES2 O00748 2/20 0.43
▸ CES1 P23141 2/20 0.43
▸ CETP P11597 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ BCHE P06276 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HPSE Q9Y251 1/20 0.40
▸ PDPK1 O15530 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ SELP P16109 3/20 0.39
▸ FAAH O00519 1/20 0.39

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
SCHEMBL13207997 0.92 CES2 (0.46) MEN1KMT2AEPHX2CES2CES1
SCHEMBL1818377 0.92 CES2 (0.46) MEN1KMT2AEPHX2CES2CES1
SCHEMBL13207931 0.92 CES2 (0.46) MEN1KMT2AEPHX2CES2CES1
SCHEMBL13207993 0.92 CES2 (0.46) MEN1KMT2AEPHX2CES2CES1
SCHEMBL13207933 0.92 CES2 (0.46) MEN1KMT2AEPHX2CES2CES1
SCHEMBL1821071 0.92 CES2 (0.46) MEN1KMT2AEPHX2CES2CES1
SCHEMBL13997515 0.92 CETP (0.45) MEN1KMT2AEPHX2CES2CES1
SCHEMBL13997512 0.91 CES2 (0.45) MEN1KMT2AEPHX2CES2CES1
SCHEMBL13997525 0.91 CES2 (0.45) MEN1KMT2AEPHX2CES2CES1
SCHEMBL13997514 0.84 TDP1 (0.41) MEN1KMT2AEPHX2CETPALDH1A1

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-20080317767-A1 Tripartitle Raftophilic Strutures and their Use MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2008-12-25 — — 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 (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-20080317767-A1 Tripartitle Raftophilic Strutures and their Use FGB, CLTB, CD38 MEN1 3565/4885KMT2A 2719/4885EPHX2 712/4885

“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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