SCHEMBL6655196

SCHEMBL6655196

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.44
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GLO1 Q04760 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
TSHR P16473 4/20 0.39
LMNA P02545 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
KMO O15229 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38
ACHE P22303 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL6654242 0.87 MEN1 (0.46) PTPRCPOLBALDH1A1GLO1LMNA
SCHEMBL27898127 0.76 TP53 (0.50) PTPRCTP53POLBALDH1A1CES2
SCHEMBL20556957 0.75 PTPRC (0.52) PTPRCTP53POLBALDH1A1GLO1
SCHEMBL20556959 0.75 PTPRC (0.52) PTPRCTP53POLBALDH1A1GLO1
SCHEMBL8935138 0.74 TP53 (0.49) PTPRCTP53POLBALDH1A1CES2
SCHEMBL8935134 0.74 TP53 (0.49) PTPRCTP53POLBALDH1A1CES2
SCHEMBL4369637 0.73 PTPRC (0.54) PTPRCTP53POLBALDH1A1GLO1
Dinitrophenylene SCHEMBL27949448 0.71 TSHR (0.65) TP53POLBALDH1A1CES2CES1
SCHEMBL22215327 0.70 PTPRC (0.56) PTPRCALDH1A1CES2CES1TSHR
SCHEMBL18855195 0.70 PTPRC (0.56) PTPRCALDH1A1CES2CES1TSHR

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 5 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

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 PTPRC 1336/4885TP53 4781/4885POLB 4497/4885

“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.