SCHEMBL5136434

SCHEMBL5136434

C=CCOP(=O)(O)OCCCO

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 6/20 0.43
LPAR2 Q9HBW0 3/20 0.43
BTN3A1 O00481 3/20 0.33
FNTA P49354 2/20 0.31
FNTB P49356 2/20 0.31
PGGT1B P53609 1/20 0.31
LPAR1 Q92633 2/20 0.31

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
SCHEMBL9011395 0.88 LPAR2 (0.37) LPAR3LPAR2BTN3A1FNTAFNTB
Ammonia Solution, Strong SCHEMBL10497024 0.86 LPAR2 (0.36) LPAR3LPAR2BTN3A1
SCHEMBL4393949 0.83 LPAR3 (0.39) LPAR3LPAR2BTN3A1LPAR1
SCHEMBL174096 0.83 BTN3A1 (0.40) LPAR3LPAR2BTN3A1FNTAFNTB
SCHEMBL28985780 0.83 CYP3A4 (0.47) LPAR3LPAR2LPAR1
SCHEMBL474838 0.81 LPAR3 (0.53) LPAR3LPAR2LPAR1
Ammonia Solution, Strong SCHEMBL8023938 0.81 BTN3A1 (0.39) LPAR3LPAR2BTN3A1FNTAFNTB
SCHEMBL10625461 0.81 BTN3A1 (0.39) LPAR3LPAR2BTN3A1FNTAFNTB
SCHEMBL11677557 0.81 BTN3A1 (0.39) LPAR3LPAR2BTN3A1FNTAFNTB
Ethylene SCHEMBL28068723 0.81 BTN3A1 (0.39) LPAR3LPAR2BTN3A1FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8828972-B2 Formulations containing alkylphosphocholines using novel negative charge carriers MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2014-09-09 US disclosed
US-20080090781-A1 Formulations Containing Alkylphosphocholines Using Novel Negative Charge Carriers MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (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 (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-20080090781-A1 Formulations Containing Alkylphosphocholines Using Novel Negative Charge Carriers PHOSPHO1, SGMS2, LPCAT1 LPAR3 54/4885LPAR2 55/4885BTN3A1 2903/4885

“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.