SCHEMBL5202339

SCHEMBL5202339

N#Cc1ccc(C=C(C(=O)O)C(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.55
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 4/20 0.54
KMT2A Q03164 2/20 0.54
PKM P14618 1/20 0.54
ATM Q13315 1/20 0.54
FBP1 P09467 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
MEN1 O00255 1/20 0.47
RAB9A P51151 1/20 0.47
CISD1 Q9NZ45 1/20 0.46
SLC16A3 O15427 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
SLC16A1 P53985 1/20 0.46
GPR35 Q9HC97 1/20 0.46
EGFR P00533 1/20 0.46
HDAC2 Q92769 1/20 0.45

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
Malonic Acid SCHEMBL10427373 0.91 ALDH1A1 (0.48) TP53ALDH1A1KDM4EKMT2APKM
SCHEMBL5202408 0.89 FBP1 (0.53) TP53ALDH1A1KDM4EKMT2APKM
SCHEMBL5202399 0.89 FBP1 (0.53) TP53ALDH1A1KDM4EKMT2APKM
SCHEMBL1225860 0.84 ALDH1A1 (0.54) ALDH1A1KDM4EKMT2APKMATM
SCHEMBL2241924 0.84 ALDH1A1 (0.54) ALDH1A1KDM4EKMT2APKMATM
SCHEMBL2674745 0.82 TP53 (0.74) TP53ALDH1A1KDM4EL3MBTL1CISD1
SCHEMBL3246531 0.82 AKR1C3 (0.62) ALDH1A1KDM4EKMT2APKMATM
SCHEMBL20764492 0.82 AKR1C3 (0.62) ALDH1A1KDM4EKMT2APKMATM
SCHEMBL4579424 0.82 AKR1C3 (0.62) ALDH1A1KDM4EKMT2APKMATM
SCHEMBL231074 0.82 ALDH1A1 (0.60) ALDH1A1KDM4EKMT2APKMATM

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-1554246-B1 DIHYDROPYRIDINONE DERIVATIVES AS HNE INHIBITORS BAYER HEALTHCARE AG (DE) 2007-08-22 EP disclosed
US-7230017-B2 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2007-06-12 US disclosed
US-20060100207-A1 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2006-05-11 US disclosed
EP-1554246-A2 DIHYDROPYRIDINONE DERIVATIVES AS HNE INHIBITORS Bayer HealthCare AG (DE) 2005-07-20 EP disclosed
WO-2004020410-A2 DIHYDROPYRIDINONE DERIVATIVES AS HNE INHIBITORS BAYER HEALTHCARE AG (DE) 2004-03-11 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-20060100207-A1 Dihydropyridinone derivatives TNNI3, DHPS, TNNT2 TP53 4586/4885ALDH1A1 721/4885KDM4E 1572/4885

“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.