SCHEMBL6130099

SCHEMBL6130099

CCCCCCCCc1ccc(CCC(C)(CCP(=O)(OCC)OCC)NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CETP P11597 5/20 0.45
MBOAT4 Q96T53 1/20 0.42
PLK1 P53350 3/20 0.39
PLK3 Q9H4B4 3/20 0.39
S1PR4 O95977 3/20 0.39
S1PR1 P21453 3/20 0.39
S1PR3 Q99500 3/20 0.39
S1PR5 Q9H228 3/20 0.39
S1PR2 O95136 2/20 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
SCHEMBL6130115 0.89 S1PR1 (0.49) CETPMBOAT4S1PR4S1PR1S1PR3
Butane SCHEMBL6130095 0.89 S1PR1 (0.48) CETPMBOAT4S1PR4S1PR1S1PR3
SCHEMBL6130097 0.81 CETP (0.42) CETPMBOAT4PLK1PLK3S1PR4
SCHEMBL23944942 0.79 MBOAT4 (0.56) CETPMBOAT4
SCHEMBL23318030 0.78 MBOAT4 (0.55) CETPMBOAT4
SCHEMBL6130110 0.77 TNNC1 (0.46) MBOAT4PLK1PLK3S1PR4S1PR1
SCHEMBL6130131 0.76 S1PR4 (0.46) S1PR4S1PR1S1PR3S1PR5S1PR2
SCHEMBL6130137 0.74 S1PR4 (0.45) S1PR4S1PR1S1PR3S1PR5S1PR2
SCHEMBL386963 0.74 FAAH (0.36)
SCHEMBL6528663 0.74 RARB (0.46) MBOAT4S1PR4S1PR1S1PR3S1PR5

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-1315735-A4 PHOSPHATE DERIVATIVES AS IMMUNOREGULATORY AGENTS MERCK & CO INC (US) 2005-04-06 EP disclosed
EP-1315735-A1 PHOSPHATE DERIVATIVES AS IMMUNOREGULATORY AGENTS Merck & Co., Inc. (US) 2003-06-04 EP disclosed
US-6437165-B1 USEFUL FOR TREATING IMMUNE MEDIATED DISEASES AND CONDITIONS, SUCH AS BONE MARROW, ORGAN AND TISSUE TRANSPLANT REJECTION. MERCK & CO., INC. 2002-08-20 US disclosed
US-20020091105-A1 Phosphate derivatives as immunoregulatory agents MERCK & CO., INC. 2002-07-11 US disclosed
WO-2002018395-A1 PHOSPHATE DERIVATIVES AS IMMUNOREGULATORY AGENTS MERCK & CO., INC. (US) 2002-03-07 WO 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-20020091105-A1 Phosphate derivatives as immunoregulatory agents ALPP, PPIP5K2, ALPI CETP 1670/4885MBOAT4 4692/4885PLK1 2687/4885

“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.