SCHEMBL3976301

SCHEMBL3976301

CCCCCCCCCCCCCCCCCCCCP(=O)(O)OC(C)CCC

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.49
LPAR3 Q9UBY5 3/20 0.48
LPAR2 Q9HBW0 1/20 0.48
S1PR2 O95136 5/20 0.46
S1PR1 P21453 5/20 0.46
S1PR3 Q99500 5/20 0.46
S1PR4 O95977 4/20 0.46
TRPM8 Q7Z2W7 4/20 0.46
FDPS P14324 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
SCHEMBL2185473 1.00 SMPD1 (0.49) SMPD1LPAR3LPAR2S1PR2S1PR1
SCHEMBL10799957 0.87 LPAR3 (0.50) SMPD1LPAR3LPAR2TRPM8
SCHEMBL11649168 0.87 LPAR3 (0.50) SMPD1LPAR3LPAR2TRPM8
SCHEMBL16427895 0.87 LPAR3 (0.50) SMPD1LPAR3LPAR2TRPM8
SCHEMBL14890431 0.87 LPAR3 (0.50) SMPD1LPAR3LPAR2TRPM8
SCHEMBL2150294 0.87 LPAR3 (0.50) SMPD1LPAR3LPAR2TRPM8
SCHEMBL2184552 0.87 LPAR3 (0.50) SMPD1LPAR3LPAR2TRPM8
SCHEMBL1065489 0.86 SMPD1 (0.53) SMPD1LPAR3LPAR2S1PR2S1PR1
SCHEMBL28389138 0.85 METAP1 (0.44) SMPD1S1PR2S1PR1S1PR3S1PR4
SCHEMBL2189539 0.83 LPAR3 (0.54) SMPD1LPAR3LPAR2TRPM8FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1840194-B1 Gear fluids AFTON CHEMICAL CORP (US) 2009-05-13 EP claimed
US-7410935-B2 Gear fluids AFTON CHEMICAL CORPORATION (US) 2008-08-12 US claimed
EP-1840194-A1 Gear fluids Afton Chemical Corporation (US) 2007-10-03 EP claimed
US-20070225182-A1 Gear fluids AFTON CHEMICAL CORPORATION 2007-09-27 US claimed
EP-1577370-A2 Power transmission fluids Afton Chemical Corporation (US) 2005-09-21 EP claimed
US-20050202979-A1 Power transmission fluids with enhanced extreme pressure characteristics ETHYL PETROLEUM ADDITIVES, INC. 2005-09-15 US claimed
EP-1840194-B1 Gear fluids AFTON CHEMICAL CORP (US) 2009-05-13 EP disclosed
EP-1840194-A1 Gear fluids Afton Chemical Corporation (US) 2007-10-03 EP disclosed
EP-1577370-A2 Power transmission fluids Afton Chemical Corporation (US) 2005-09-21 EP disclosed
US-20050202979-A1 Power transmission fluids with enhanced extreme pressure characteristics ETHYL PETROLEUM ADDITIVES, INC. 2005-09-15 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-20070225182-A1 Gear fluids PHOSPHO1, F12, PIK3CA SMPD1 3456/4885LPAR3 63/4885LPAR2 78/4885

“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.