SCHEMBL1125428

SCHEMBL1125428

CCCOC(=O)Cc1ccc(CBr)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
TSHR P16473 1/20 0.44
CYP19A1 P11511 1/20 0.44
YWHAG P61981 1/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
PDE4A P27815 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KLK7 P49862 1/20 0.41
CYP4Z1 Q86W10 1/20 0.41
LMNA P02545 1/20 0.41
PAM P19021 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
SCHEMBL1124344 0.85 CYP4Z1 (0.54) ALDH1A1L3MBTL1TSHRMAPK1KDM4E
SCHEMBL2400474 0.84 KMT2A (0.51) ALDH1A1GAAL3MBTL1TSHRCYP19A1
SCHEMBL5542953 0.84 ALDH1A1 (0.46) ALDH1A1GAAL3MBTL1TSHRCYP19A1
SCHEMBL1885468 0.84 ALDH1A1 (0.58) ALDH1A1GAAL3MBTL1TSHRCYP19A1
SCHEMBL11776327 0.82 TSHR (0.63) ALDH1A1L3MBTL1TSHRKLK7
SCHEMBL11038201 0.82 CYP1A2 (0.47) ALDH1A1GAAL3MBTL1TSHRCYP19A1
SCHEMBL13481189 0.82 KLK7 (0.52) ALDH1A1GAAL3MBTL1KDM4ESMN1; SMN2
SCHEMBL11002749 0.82 LMNA (0.58) ALDH1A1GAAL3MBTL1MAPK1KDM4E
SCHEMBL650649 0.81 ALDH1A1 (0.63) ALDH1A1L3MBTL1TSHRMAPK1KDM4E
SCHEMBL28578397 0.81 ALDH1A1 (0.68) ALDH1A1GAAL3MBTL1KLK7

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-2284157-A1 Quinolines useful in treating cardiovascular disease Wyeth (US) 2011-02-16 EP disclosed
US-7576215-B2 Quinolines and pharmaceutical compositions thereof WYETH (US) 2009-08-18 US disclosed
EP-1692111-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE Wyeth, A Corporation of the State of Delaware (US) 2006-08-23 EP disclosed
WO-2005058834-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE WYETH (US) 2005-06-30 WO disclosed
US-20050131014-A1 Quinolines useful in treating cardiovascular disease WYETH (US) 2005-06-16 US 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-20050131014-A1 Quinolines useful in treating cardiovascular disease NR1H2, NR1H3, SREBF1 ALDH1A1 1202/4885GAA 1501/4885L3MBTL1 2473/4885

“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.