SCHEMBL14080920

SCHEMBL14080920

CCOC(=O)CCCCCOP(=O)(O)OCC[N+](C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FABP3 P05413 1/20 0.61
▸ P2RY10 O00398 8/20 0.49
▸ GPR34 Q9UPC5 3/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ NR5A2 O00482 1/20 0.48
▸ NR5A1 Q13285 1/20 0.48
▸ ADRA1A P35348 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ ESR1 P03372 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ CDC25A P30304 1/20 0.47
▸ AGTR1 P30556 1/20 0.47
▸ AKT1 P31749 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ ADRA2A P08913 1/20 0.46
▸ BLM P54132 1/20 0.45
▸ DGKA P23743 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
SCHEMBL14448112 0.90 FABP3 (0.70) FABP3P2RY10GPR34SMN1; SMN2NR5A2
SCHEMBL26061597 0.87 FABP3 (0.70) FABP3P2RY10GPR34SMN1; SMN2NR5A2
SCHEMBL26018724 0.87 FABP3 (0.70) FABP3P2RY10GPR34SMN1; SMN2NR5A2
SCHEMBL25665820 0.87 FABP3 (0.70) FABP3P2RY10GPR34SMN1; SMN2NR5A2
SCHEMBL14758262 0.87 FABP3 (0.70) FABP3P2RY10GPR34SMN1; SMN2NR5A2
SCHEMBL3631867 0.86 FABP3 (0.72) FABP3P2RY10GPR34SMN1; SMN2NR5A2
SCHEMBL3629744 0.86 FABP3 (0.72) FABP3P2RY10GPR34SMN1; SMN2NR5A2
SCHEMBL3630629 0.86 FABP3 (0.72) FABP3P2RY10GPR34SMN1; SMN2NR5A2
SCHEMBL9630534 0.83 ADRA2A (0.67) FABP3SMN1; SMN2ADRA1ALMNAMAPT
SCHEMBL13619237 0.83 LMNA (0.58) FABP3SMN1; SMN2ADRA1ALMNAESR1

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-7408075-B1 Synthesis of phosphocholine ester derivatives and conjugates thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-08-05 — — US disclosed
US-20080175852-A1 SYNTHESIS OF PHOSPHOCHOLINE ESTER DERIVATIVES AND CONJUGATES THEREOF THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2008-07-24 — — 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-20080175852-A1 SYNTHESIS OF PHOSPHOCHOLINE ESTER DERIVATIVES AND CONJUGATES THEREOF PHOSPHO1, SGMS1, SGMS2 FABP3 1691/4885P2RY10 2577/4885GPR34 1232/4885

“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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