SCHEMBL6153240

SCHEMBL6153240

O=C(O)C=Cc1ccccc1COCCN1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 2/20 0.52
HPGD P15428 1/20 0.52
KEAP1 Q14145 6/20 0.48
NFE2L2 Q16236 6/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSP90AA1 P07900 1/20 0.46
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DRD1 P21728 1/20 0.44
DRD4 P21917 1/20 0.44
DRD5 P21918 1/20 0.44

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
SCHEMBL6153236 1.00 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDKEAP1NFE2L2
SCHEMBL6154514 0.89 HRH1 (0.50) ALDH1A1KDM4EKEAP1NFE2L2HSP90AA1
SCHEMBL6154507 0.89 HRH1 (0.50) ALDH1A1KDM4EKEAP1NFE2L2HSP90AA1
SCHEMBL6152429 0.77 ALDH1A1 (0.53) ALDH1A1KDM4ECYP2C19POLBL3MBTL1
SCHEMBL5322002 0.76 MEN1 (0.53) ALDH1A1KDM4EPOLBL3MBTL1DRD1
SCHEMBL6548977 0.75 PLK1 (0.47) ALDH1A1KDM4EHPGDPOLBL3MBTL1
SCHEMBL6548980 0.75 PLK1 (0.47) ALDH1A1KDM4EHPGDPOLBL3MBTL1
SCHEMBL27466067 0.75 ABCB1 (0.52) ALDH1A1KDM4EKEAP1NFE2L2POLB
SCHEMBL9157528 0.74 MAPT (0.52) ALDH1A1KDM4EHPGDKEAP1NFE2L2
SCHEMBL9157538 0.74 MAPT (0.52) ALDH1A1KDM4EHPGDKEAP1NFE2L2

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-1307449-B1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMA (JP) 2005-12-07 EP disclosed
US-6653313-B2 For treatment and prevention of inflammation, asthma, allergic rhinitis, pain and other disorders WARNER-LAMBERT COMPANY LLC 2003-11-25 US disclosed
EP-1307449-A1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 2003-05-07 EP disclosed
US-20020161006-A1 1,4-dihydropyridine compounds as bradykinin antagonists KAWAMURA MITSUHIRO (US) 2002-10-31 US disclosed
WO-2002012235-A1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 2002-02-14 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-20020161006-A1 1,4-dihydropyridine compounds as bradykinin antagonists BDKRB1, BDKRB2, HRH4 ALDH1A1 1798/4885KDM4E 1330/4885HPGD 511/4885

“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.