SCHEMBL4333508

SCHEMBL4333508

Cc1ccccc1C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 2/20 0.50
RECQL P46063 1/20 0.50
HTT P42858 1/20 0.50
NPC1 O15118 1/20 0.47
MAOB P27338 2/20 0.46
BCHE P06276 1/20 0.46
FBP1 P09467 1/20 0.44
F2 P00734 1/20 0.44
PLAU P00749 1/20 0.44
ELANE P08246 1/20 0.44
BRAF P15056 1/20 0.43
HSP90AA1 P07900 1/20 0.43
NR2F2 P24468 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
SCHEMBL4333500 1.00 ALDH1A1 (0.51) ALDH1A1GAAMAPTSMN1; SMN2RAB9A
SCHEMBL19436969 0.83 MAPT (0.52) ALDH1A1GAAMAPTSMN1; SMN2RAB9A
SCHEMBL19436968 0.83 MAPT (0.52) ALDH1A1GAAMAPTSMN1; SMN2RAB9A
SCHEMBL7828158 0.82 RORC (0.44) ALDH1A1GAAMAPTSMN1; SMN2RAB9A
SCHEMBL7828156 0.82 RORC (0.44) ALDH1A1GAAMAPTSMN1; SMN2RAB9A
SCHEMBL11220464 0.81 AKR1C1 (0.66) ALDH1A1MAPTSMN1; SMN2RAB9AMEN1
SCHEMBL11218795 0.81 AKR1C1 (0.66) ALDH1A1MAPTSMN1; SMN2RAB9AMEN1
SCHEMBL11220467 0.81 AKR1C1 (0.66) ALDH1A1MAPTSMN1; SMN2RAB9AMEN1
SCHEMBL7813609 0.78 AKR1C1 (0.66) ALDH1A1MAPTSMN1; SMN2RAB9AMEN1
SCHEMBL15777306 0.78 AKR1C1 (0.66) ALDH1A1MAPTSMN1; SMN2RAB9AMEN1

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 ALDH1A1 565/4885GAA 430/4885MAPT 2994/4885

“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.