SCHEMBL6153686

SCHEMBL6153686

COC(=O)CC(=O)CCc1ccccc1COCCN1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL6153126 0.90 L3MBTL1 (0.43) ALDH1A1KDM4EPOLBL3MBTL1KMT2A
SCHEMBL6152429 0.84 ALDH1A1 (0.53) ALDH1A1KDM4EPOLBL3MBTL1LMNA
SCHEMBL6153006 0.83 ALDH1A1 (0.57) ALDH1A1KDM4EPOLBL3MBTL1LMNA
SCHEMBL6153382 0.74 CDYL (0.48) ALDH1A1KDM4ETDP1POLBLMNA
SCHEMBL5322002 0.73 MEN1 (0.53) ALDH1A1KDM4ETDP1POLBL3MBTL1
SCHEMBL6153010 0.73 POLB (0.46) ALDH1A1KDM4ETDP1POLBL3MBTL1
SCHEMBL6152608 0.73 CYP4F2 (0.54) ALDH1A1KDM4EL3MBTL1KMT2AMEN1
SCHEMBL6152322 0.73 LTA4H (0.51) ALDH1A1KDM4EL3MBTL1KMT2AMEN1
SCHEMBL6152755 0.71 KIF11 (0.35) ALDH1A1KDM4ETDP1POLBLMNA
SCHEMBL6153089 0.71 CYP2A13 (0.60) ALDH1A1KDM4EPOLB

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 1330/4885TDP1 3452/4885

“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.