SCHEMBL1125985

SCHEMBL1125985

COC(=O)Cc1ccc(CO)n1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
MAPT P10636 3/20 0.41
TSHR P16473 2/20 0.41
HPGD P15428 2/20 0.41
EGFR P00533 1/20 0.41
HSP90AB1 P08238 1/20 0.39
ALDH1A1 P00352 7/20 0.37
GAA P10253 4/20 0.37
GFER P55789 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
KMT2A Q03164 3/20 0.36
HSD17B10 Q99714 3/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 5/20 0.35
CXCL8 P10145 1/20 0.34
AKR1B1 P15121 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL70626 0.92 CYP4F2 (0.46) CYP4F2CYP4A11MAPTTSHRHPGD
SCHEMBL10174695 0.85 TSHR (0.41) CYP4F2CYP4A11MAPTTSHRHPGD
SCHEMBL11881716 0.77 CXCL8 (0.41) CYP4F2CYP4A11MAPTTSHRHPGD
SCHEMBL11454589 0.76 AR (0.43) CYP4F2CYP4A11MAPTTSHRHPGD
SCHEMBL12255397 0.75 KDM4E (0.43) MAPTHPGDALDH1A1GAAKMT2A
SCHEMBL12255157 0.75 NPSR1 (0.37) MAPTTSHRHPGDEGFRHSP90AB1
SCHEMBL2175952 0.74 NPC1 (0.44) CYP4A11MAPTTSHRHPGDALDH1A1
SCHEMBL12255221 0.74 MAPK1 (0.40) CYP4F2CYP4A11MAPTTSHRHPGD
SCHEMBL11371392 0.73 CXCL8 (0.57) MAPTTSHRHPGDEGFRALDH1A1
SCHEMBL3999226 0.72 CXCL8 (0.72) MAPTHPGDALDH1A1GAASMN1; SMN2

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 CYP4F2 246/4885CYP4A11 113/4885MAPT 4520/4885

“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.