SCHEMBL14080952

SCHEMBL14080952

O=C(Oc1ccc([N+](=O)O)cc1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 11/20 0.40
GAA P10253 1/20 0.38
BCL9 O00512 1/20 0.36
CTNNB1 P35222 1/20 0.36
KIF11 P52732 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL734833 0.84 GAA (0.56) GAABCL9CTNNB1PKMKMT2A
P-Nitrophenol SCHEMBL6226065 0.80 GAA (0.51) GAABCL9CTNNB1PKMKMT2A
SCHEMBL26343991 0.78 ELANE (0.53) ELANEGAAKMT2A
SCHEMBL2651602 0.76 ELANE (0.45) ELANEGAAKIF11KMT2AALDH1A1
SCHEMBL9872338 0.75 LMNA (0.57) ELANEGAAKMT2AALDH1A1
SCHEMBL14520259 0.75 GAA (0.41) GAABCL9CTNNB1PKMKMT2A
SCHEMBL10738024 0.75 ELANE (0.56) ELANEKMT2ASMN1; SMN2
SCHEMBL8538472 0.75 ELANE (0.44) ELANEKIF11KMT2AALDH1A1
SCHEMBL326469 0.75 ELANE (0.44) ELANEKIF11
SCHEMBL27746984 0.75 ELANE (0.48) ELANEGAAALDH1A1SMN1; SMN2

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 ELANE 617/4885GAA 2850/4885BCL9 3353/4885

“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.