SCHEMBL4333511

SCHEMBL4333511

Cc1ccccc1C(=CC(=O)O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 5/20 0.51
GAA P10253 1/20 0.51
CES1 P23141 2/20 0.50
CES2 O00748 1/20 0.50
MAPT P10636 4/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
MAPK1 P28482 2/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP1B1 Q16678 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
F2 P00734 1/20 0.44
PLAU P00749 1/20 0.44
ELANE P08246 1/20 0.44
SRD5A2 P31213 1/20 0.43

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
SCHEMBL7842426 0.84 CES1 (0.66) RAB9ANPC1ALDH1A1GAACES1
SCHEMBL7852918 0.84 CES1 (0.66) RAB9ANPC1ALDH1A1GAACES1
SCHEMBL7842423 0.84 CES1 (0.66) RAB9ANPC1ALDH1A1GAACES1
SCHEMBL7828163 0.83 RORC (0.44) RAB9ANPC1ALDH1A1GAAMAPT
SCHEMBL13714272 0.79 ALDH1A1 (0.62) RAB9ANPC1ALDH1A1GAACES1
SCHEMBL11221841 0.75 ALDH1A1 (0.51) ALDH1A1GAACES2MAPTKDM4E
SCHEMBL11221822 0.75 ALDH1A1 (0.51) ALDH1A1GAACES2MAPTKDM4E
SCHEMBL15515489 0.75 CES1 (0.62) RAB9ANPC1ALDH1A1GAACES1
SCHEMBL1259142 0.72 MAPK1 (0.61) NPC1ALDH1A1CES1CES2MAPT
SCHEMBL3029025 0.72 MAPK1 (0.61) NPC1ALDH1A1CES1CES2MAPT

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
US-7585997-B2 Compounds and compositions for treating dysproliferative diseases, and methods of use thereof CHESTERFORD ENTERPRISES LIMITED (KY) 2009-09-08 US disclosed
EP-1709155-A4 COMPOUNDS AND COMPOSITIONS FOR TREATING DYSPROLIFERATIVE DISEASES, AND METHODS OF USE THEREOF KASHFI KHOSROW (US) 2007-10-31 EP disclosed
EP-1709155-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING DYSPROLIFERATIVE DISEASES, AND METHODS OF USE THEREOF Kashfi, Khosrow (US) 2006-10-11 EP disclosed
US-20050182134-A1 Compounds and compositions for treating dysproliferative diseases, and methods of use thereof CONVERSANT INTELLECTUAL PROPERTY MANAGEMENT INC. (CA) 2005-08-18 US disclosed
WO-2005065361-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING DYSPROLIFERATIVE DISEASES, AND METHODS OF USE THEREOF KASHFI KHOSROW (US) 2005-07-21 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-20050182134-A1 Compounds and compositions for treating dysproliferative diseases, and methods of use thereof PYGL, TP53, MKI67 RAB9A 3829/4885NPC1 1730/4885ALDH1A1 565/4885

“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.