SCHEMBL1124335

SCHEMBL1124335

CCOC(=O)C(O)c1ccc(C=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.46
ALDH1A1 P00352 5/20 0.42
CYP2A6 P11509 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
PTGS2 P35354 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ALDH1A3 P47895 2/20 0.39
ALDH3A1 P30838 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
LMNA P02545 2/20 0.38

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
SCHEMBL9391764 0.84 MMP8 (0.49) TYRALDH1A1CYP2A6BCHEACHE
SCHEMBL2063625 0.83 TYR (0.50) TYRALDH1A1CYP2A6BCHEACHE
SCHEMBL28437317 0.82 ALDH1A1 (0.52) TYRALDH1A1CYP2A6ADRB2ADRB1
SCHEMBL13557323 0.82 MEN1 (0.47) ALDH1A1ACHEKMT2AMEN1LMNA
SCHEMBL5209865 0.80 ESR1 (0.53) ALDH1A1CA12CA1CA2CA7
SCHEMBL13924144 0.80 SMN1; SMN2 (0.50) ALDH1A1BCHEACHEKMT2AMEN1
SCHEMBL5209871 0.80 ESR1 (0.53) ALDH1A1CA12CA1CA2CA7
SCHEMBL982864 0.79 LMNA (0.55) ALDH1A1ADRB2ADRB1ADRB3KMT2A
SCHEMBL898279 0.79 MAPT (0.47) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL28421759 0.79 OPRM1 (0.39) KMT2AMEN1LMNAMAPK1MMP8

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 TYR 4141/4885ALDH1A1 1202/4885CYP2A6 386/4885

“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.