SCHEMBL5092015

SCHEMBL5092015

CCOC(=O)Cc1ccc(CC)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
PDK1 Q15118 1/20 0.48
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.42
PDGFRB P09619 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT1 P17948 1/20 0.42
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
MAPK1 P28482 2/20 0.42
GAA P10253 1/20 0.42
CYP4Z1 Q86W10 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL5201986 0.94 LMNA (0.49) LMNAKMT2AMEN1HTTPDK1
SCHEMBL3723783 0.89 LMNA (0.49) LMNAKMT2AMEN1HTTALDH1A1
SCHEMBL5201988 0.88 CYP1A2 (0.52) LMNAKMT2AMEN1HTTPDK1
SCHEMBL5201991 0.88 CYP1A2 (0.52) LMNAKMT2AMEN1HTTPDK1
SCHEMBL18932535 0.88 LMNA (0.44) LMNAKMT2AMEN1HTTPDK1
SCHEMBL13079792 0.87 PDGFRB (0.52) LMNAKMT2AMEN1PDK1ALDH1A1
SCHEMBL1694828 0.86 MAPT (0.49) LMNAKMT2AMEN1HTTALDH1A1
SCHEMBL15270721 0.84 LMNA (0.53) LMNAKMT2AMEN1HTTALDH1A1
SCHEMBL31085599 0.84 LMNA (0.53) LMNAKMT2AMEN1HTTALDH1A1
SCHEMBL31085600 0.84 LMNA (0.53) LMNAKMT2AMEN1HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335673-B2 2,3-Diphenylpropionic acid derivatives or their salts, medicines or cell adhesion inhibitors containing the same, and their usage KAKEN PHARMACEUTICAL CO., LTD. (JP) 2008-02-26 US disclosed
US-20040072878-A1 2,3-Diphenylpropionic acid derivatives or their salts, medicines or cell adhesion inhibitors containing the same, and their usage KAKEN PHARMACEUTICAL CO., LTD. (JP) 2004-04-15 US disclosed
EP-1325903-A1 2,3-DIPHENYLPROPIONIC ACID DERIVATIVES OR THEIR SALTS, MEDICINES OR CELL ADHESION INHIBITORS CONTAINING THE SAME, AND THEIR USAGE Kaken Pharmaceutical Co., Ltd. (JP) 2003-07-09 EP 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-20040072878-A1 2,3-Diphenylpropionic acid derivatives or their salts, medicines or cell adhesion inhibitors containing the same, and their usage VCAM1, ICAM1, PTK2 LMNA 2733/4885KMT2A 2949/4885MEN1 2532/4885

“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.