SCHEMBL14080851

SCHEMBL14080851

C[N+](C)(C)CCOP(=O)(O)OCCCCCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FABP3 P05413 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ RECQL P46063 1/20 0.48
▸ ADRA1A P35348 2/20 0.47
▸ LMNA P02545 2/20 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
▸ P2RY10 O00398 4/20 0.41
▸ GPR34 Q9UPC5 2/20 0.41
▸ ADRA2A P08913 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ PMP22 Q01453 1/20 0.39

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
SCHEMBL17833014 0.88 LMNA (0.58) FABP3ALDH1A1ADRA1ALMNAESR1
SCHEMBL13619237 0.88 LMNA (0.58) FABP3ALDH1A1ADRA1ALMNAESR1
SCHEMBL21631754 0.86 LMNA (0.67) RECQLADRA1ALMNAESR1ADORA3
SCHEMBL2602822 0.83 FABP3 (0.48) FABP3ALDH1A1RECQLLMNAP2RY10
SCHEMBL27966574 0.82 RECQL (0.59) FABP3ALDH1A1RECQLLMNAAKT1
SCHEMBL28240661 0.82 LMNA (0.47) FABP3RECQLADRA1ALMNAESR1
SCHEMBL14080920 0.82 FABP3 (0.61) FABP3ADRA1ALMNAESR1ADORA3
SCHEMBL60848 0.81 LMNA (0.70) FABP3ALDH1A1ADRA1ALMNAESR1
SCHEMBL905581 0.81 LMNA (0.70) FABP3ALDH1A1ADRA1ALMNAESR1
SCHEMBL14447816 0.81 LMNA (0.70) FABP3ALDH1A1ADRA1ALMNAESR1

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 1691/4885ALDH1A1 3630/4885RECQL 3803/4885

“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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