SCHEMBL2520062

SCHEMBL2520062

CCCCCCCCCCCCCCCCP(=O)(O)O.[NaH]

nearest known ligand 0.95

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LPAR3 Q9UBY5 3/20 0.95
▸ LPAR2 Q9HBW0 1/20 0.95
▸ S1PR2 O95136 11/20 0.65
▸ S1PR1 P21453 11/20 0.65
▸ S1PR3 Q99500 11/20 0.65
▸ S1PR4 O95977 9/20 0.65
▸ S1PR5 Q9H228 2/20 0.65
▸ TYMS P04818 1/20 0.55
▸ FDPS P14324 2/20 0.54

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
SCHEMBL28012045 1.00 LPAR3 (0.95) LPAR3LPAR2S1PR2S1PR1S1PR3
SCHEMBL5701187 1.00 LPAR3 (0.95) LPAR3LPAR2S1PR2S1PR1S1PR3
SCHEMBL27374362 1.00 LPAR3 (0.95) LPAR3LPAR2S1PR2S1PR1S1PR3
SCHEMBL28941732 1.00 LPAR3 (0.95) LPAR3LPAR2S1PR2S1PR1S1PR3
SCHEMBL2521931 1.00 LPAR3 (0.95) LPAR3LPAR2S1PR2S1PR1S1PR3
SCHEMBL5701189 1.00 LPAR3 (0.95) LPAR3LPAR2S1PR2S1PR1S1PR3
SCHEMBL23037448 1.00 LPAR3 (0.95) LPAR3LPAR2S1PR2S1PR1S1PR3
SCHEMBL11472541 1.00 LPAR3 (0.95) LPAR3LPAR2S1PR2S1PR1S1PR3
SCHEMBL11474035 1.00 LPAR3 (0.95) LPAR3LPAR2S1PR2S1PR1S1PR3
SCHEMBL3823296 1.00 LPAR3 (0.95) LPAR3LPAR2S1PR2S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102171225-B The method of alkyl phosphonic acid, phosphonate ester and alkyl phosphonate is prepared in oxidation by means of phostonic acid, and their purposes CLARIANT FINANCE (BVI) LTD. (VG) 2015-09-09 — — CN disclosed
US-9018413-B2 Method for the production of alkylphosphonic acids, esters, and salts by oxidizing alkylphosphonous acids, and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2015-04-28 — — US disclosed
US-20110251314-A1 Method for the Production of Alkylphosphonic Acids, Esters, and Salts by Oxidizing Alkylphosphonous Acids, and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-10-13 — — 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-20110251314-A1 Method for the Production of Alkylphosphonic Acids, Esters, and Salts by Oxidizing Alkylphosphonous Acids, and Use Thereof ACSL3, SCO2, HAO2 LPAR3 128/4885LPAR2 139/4885S1PR2 675/4885

“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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