SCHEMBL6659591

SCHEMBL6659591

CCOC(=O)/C(C)=C(/C)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.65
ALDH1A1 P00352 5/20 0.59
GLO1 Q04760 1/20 0.58
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
KMT2A Q03164 4/20 0.53
LMNA P02545 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 2/20 0.53
HTT P42858 1/20 0.53
TP53 P04637 1/20 0.53
ATM Q13315 1/20 0.52
TSHR P16473 2/20 0.51
HPGD P15428 2/20 0.48
CACNA1F O60840 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CACNA1D Q01668 1/20 0.48
CACNA1S Q13698 1/20 0.48
CACNA1C Q13936 1/20 0.48
NPC1 O15118 1/20 0.48

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
SCHEMBL6659596 1.00 GAA (0.65) GAAALDH1A1GLO1CES2CES1
SCHEMBL6834439 0.92 GAA (0.65) GAAALDH1A1GLO1CES2CES1
SCHEMBL30770327 0.86 CES2 (0.66) GAAALDH1A1GLO1CES2CES1
SCHEMBL9062780 0.86 CES2 (0.66) GAAALDH1A1GLO1CES2CES1
SCHEMBL6834228 0.85 GAA (0.63) GAAALDH1A1GLO1CES2CES1
SCHEMBL11110091 0.82 MAPK1 (0.54) GAAALDH1A1CES1KMT2ALMNA
SCHEMBL11110090 0.82 MAPK1 (0.54) GAAALDH1A1CES1KMT2ALMNA
SCHEMBL3388760 0.82 NPC1 (0.62) GAAALDH1A1CES2CES1KMT2A
SCHEMBL28712212 0.82 GAA (0.63) GAAALDH1A1GLO1CES2CES1
Ammonia Solution, Strong SCHEMBL9555537 0.81 NPC1 (0.61) GAAALDH1A1CES2CES1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077940-B1 4-PHENYLPIPERIDINES FOR THE TREATMENT OF PRURITIC DERMATOSES PFIZER (US) 2004-07-14 EP disclosed
US-6610711-B2 4-phenylpiperidines for the treatment of pruritic dermatoses PFIZER INC. 2003-08-26 US disclosed
US-20030078282-A1 Novel 4-phenylpiperidines for the treatment of pruritic dermatoses PFIZER INC. 2003-04-24 US disclosed
EP-1077940-A1 4-PHENYLPIPERIDINES FOR THE TREATMENT OF PRURITIC DERMATOSES PFIZER INC. (US) 2001-02-28 EP disclosed
WO-1999059971-A1 NOVEL 4-PHENYLPIPERIDINES FOR THE TREATMENT OF PRURITIC DERMATOSES PFIZER INC. (US) 1999-11-25 WO disclosed
EP-0047119-B1 CARBOXAMIDE COMPOUNDS AS SRS-A ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, PROCESSES FOR THE PREPARATION, AND INTERMEDIATES USEFUL THEREIN PFIZER INC. (US) 1984-05-09 EP disclosed
US-4343813-A ANTIANAPHYLACTIC AGENTS PFIZER INC. (US) 1982-08-10 US disclosed
US-4331683-A SENSITIZATION, ANTIALLERGENS PFIZER INC. (US) 1982-05-25 US disclosed
EP-0047119-A1 Carboxamide compounds as SRS-A antagonists, pharmaceutical compositions containing them, processes for the preparation, and intermediates useful therein PFIZER INC. (US) 1982-03-10 EP disclosed
US-4296120-A ANTIANAPHYLACTIC PFIZER INC. (US) 1981-10-20 US disclosed
US-4296129-A ANTIAASTHMATIC INHIBITOR OF SLOW-REACTING SUBSTANCE OF ANAPHYLAXIS PFIZER, INC. (US) 1981-10-20 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-20030078282-A1 Novel 4-phenylpiperidines for the treatment of pruritic dermatoses HRH2, HRH4, HRH1 GAA 1464/4885ALDH1A1 857/4885GLO1 4310/4885

“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.