SCHEMBL13587670

SCHEMBL13587670

CCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCCCCC

nearest known ligand 0.97

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 4/20 0.97
▸ THRB P10828 1/20 0.97
▸ MEN1 O00255 1/20 0.97
▸ KMT2A Q03164 1/20 0.97
▸ ASAH1 Q13510 2/20 0.76
▸ TP53 P04637 2/20 0.73
▸ CYP1A2 P05177 1/20 0.73
▸ CYP2D6 P10635 1/20 0.73
▸ MAPT P10636 1/20 0.73
▸ CYP2C9 P11712 1/20 0.73
▸ MAPK1 P28482 1/20 0.73
▸ CYP2C19 P33261 1/20 0.73
▸ DEGS1 O15121 1/20 0.72
▸ ASAH2 Q9NR71 2/20 0.69
▸ PLA2G4A P47712 4/20 0.67
▸ ALDH1A1 P00352 2/20 0.63
▸ KDM4E B2RXH2 1/20 0.60

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
SCHEMBL30167971 1.00 CETP (0.97) CETPTHRBMEN1KMT2AASAH1
SCHEMBL20152381 1.00 CETP (0.97) CETPTHRBMEN1KMT2AASAH1
SCHEMBL31276708 1.00 CETP (0.97) CETPTHRBMEN1KMT2AASAH1
SCHEMBL30915241 1.00 CETP (0.97) CETPTHRBMEN1KMT2AASAH1
SCHEMBL2734386 1.00 CETP (0.97) CETPTHRBMEN1KMT2AASAH1
SCHEMBL31277312 1.00 CETP (0.97) CETPTHRBMEN1KMT2AASAH1
SCHEMBL31277666 1.00 CETP (0.97) CETPTHRBMEN1KMT2AASAH1
SCHEMBL20450780 1.00 CETP (0.97) CETPTHRBMEN1KMT2AASAH1
SCHEMBL22855979 1.00 CETP (0.97) CETPTHRBMEN1KMT2AASAH1
SCHEMBL30498995 1.00 CETP (0.97) CETPTHRBMEN1KMT2AASAH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3229811-B1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GRI BIO INC (US) 2021-02-24 — — EP disclosed
WO-2016094226-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GLYCOREGIMMUNE, INC. (US) 2016-06-16 — — WO disclosed
US-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS ALTIUM GROWTH FUND, LP 2016-06-09 — — US disclosed
US-7629385-B2 Sphingolipid-derived pharmaceutical compositions MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2009-12-08 — — US disclosed
US-20080090913-A1 Sphingolipid-Derived Phamaceutical Compositions JADO TECHNOLOGIES GMBH (DE) 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 (2 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-20080090913-A1 Sphingolipid-Derived Phamaceutical Compositions SGMS1, SGMS2, SMPD2 CETP 32/4885THRB 3943/4885MEN1 3394/4885
US-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS RXRA, RXRG, CX3CR1 CETP 693/4885THRB 3055/4885MEN1 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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