SCHEMBL7554036

SCHEMBL7554036

CCCCCCCCCCCCCCC(C)OP(=O)(O)OCCN

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 1/20 0.51
SMPD1 P17405 3/20 0.46
S1PR2 O95136 5/20 0.44
S1PR1 P21453 5/20 0.44
S1PR3 Q99500 5/20 0.44
S1PR4 O95977 4/20 0.44
LAP3 P28838 2/20 0.44
PLA2G2D Q9UNK4 1/20 0.43
LPAR3 Q9UBY5 3/20 0.42
FDPS P14324 3/20 0.42
LPAR1 Q92633 2/20 0.42
LPAR2 Q9HBW0 2/20 0.42

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
SCHEMBL27938662 0.89 LPAR3 (0.55) SMPD1S1PR2S1PR1S1PR3S1PR4
SCHEMBL5689398 0.86 LPAR3 (0.55) PLA2G2CSMPD1LPAR3FDPSLPAR1
SCHEMBL25208402 0.84 SMPD1 (0.51) SMPD1S1PR2S1PR1S1PR3S1PR4
SCHEMBL3797731 0.84 SMPD1 (0.58) SMPD1S1PR2S1PR1S1PR3S1PR4
SCHEMBL3821685 0.84 SMPD1 (0.58) SMPD1S1PR2S1PR1S1PR3S1PR4
SCHEMBL329612 0.84 SMPD1 (0.58) SMPD1S1PR2S1PR1S1PR3S1PR4
SCHEMBL9484333 0.84 SMPD1 (0.58) SMPD1S1PR2S1PR1S1PR3S1PR4
Octane SCHEMBL5312682 0.83 PLA2G2C (0.48) PLA2G2CSMPD1S1PR2S1PR1S1PR3
SCHEMBL14447836 0.82 LMNA (0.50) SMPD1
SCHEMBL28017667 0.82 LMNA (0.50) SMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020173489-A1 COMPOSITIONS CONTAINING A MIXTURE OF PHOSPHOROUS COMPOUNDS AND ALKYLGLYCEROLS MAX-PLANCK-GESSELSCHAFT ZUR FORDERUNG DER WISSENSCHAFTER E.V. (DE) 2002-11-21 US disclosed
US-5916884-A CYTOTOXIC THERAPEUTIC COMPOUND; ANTITUMOR AGENT MAX-PLANCK-GESELLSCHAFT ZUR FOEDERUNG DER WISSENSCHAFTEN (DE) 1999-06-29 US disclosed
EP-0248062-B1 MEDICAMENTS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 1992-05-06 EP disclosed
EP-0225608-A2 Medicine Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 1987-06-16 EP 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-20020173489-A1 COMPOSITIONS CONTAINING A MIXTURE OF PHOSPHOROUS COMPOUNDS AND ALKYLGLYCEROLS PHOSPHO1, PLCG2, PPIP5K2 PLA2G2C 33/4885SMPD1 77/4885S1PR2 90/4885

“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.