SCHEMBL1678698

SCHEMBL1678698

Cc1ccc(Cl)c(O)c1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 3/20 0.38
MAPT P10636 2/20 0.38
DPP4 P27487 1/20 0.38
PADI4 Q9UM07 1/20 0.36
ERN1 O75460 9/20 0.36
ALB P02768 2/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
USP2 O75604 2/20 0.33
AOX1 Q06278 1/20 0.33
NPC1 O15118 1/20 0.33
LDHA P00338 1/20 0.33
ESR1 P03372 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL29955992 1.00 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ATDP1CYP3A4
SCHEMBL25322018 0.83 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ATDP1CYP3A4
SCHEMBL3966986 0.82 CYP3A4 (0.42) ALDH1A1MEN1KMT2ATDP1CYP3A4
SCHEMBL659499 0.82 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ATDP1CYP3A4
SCHEMBL30892258 0.82 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ATDP1CYP3A4
SCHEMBL29397237 0.82 CYP3A4 (0.42) ALDH1A1MEN1KMT2ATDP1CYP3A4
SCHEMBL30892256 0.82 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ATDP1CYP3A4
SCHEMBL30627426 0.78 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ATDP1CYP3A4
SCHEMBL4650198 0.78 CYP3A4 (0.44) ALDH1A1CYP3A4MAPTPADI4ERN1
SCHEMBL30498483 0.78 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ATDP1CYP3A4

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923573-B2 Benzene compound having 2 or more substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-12 US disclosed
US-20080255111-A1 Tissue Factor Production Inhibitor SANKYO COMPANY LIMITED (JP) 2008-10-16 US disclosed
US-20080004301-A1 Benzene Compound Having 2 or More Substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-01-03 US disclosed
US-7259266-B2 Benzopyran compounds useful for treating inflammatory conditions PHARMACIA CORPORATION (US) 2007-08-21 US disclosed
EP-1806332-A1 BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS Daiichi Sankyo Company, Limited (JP) 2007-07-11 EP disclosed
EP-1764075-A1 TISSUE FACTOR PRODUCTION INHIBITOR Sankyo Company, Limited (JP) 2007-03-21 EP disclosed
CN-1768050-A Benzopyran compounds for the treatment of inflammation PHARMACIA CORP (US) 2006-05-03 CN disclosed
EP-1631562-A1 CHROMENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS Pharmacia Corporation (US) 2006-03-08 EP disclosed
EP-1615905-A2 BENZOPYRAN COMPOUNDS USEFUL FOR TREATING INFLAMMATORY CONDITIONS Pharmacia Corporation (US) 2006-01-18 EP disclosed
US-20050148777-A1 Benzopyran compounds useful for treating inflammatory conditions CARTER JEFFERY (US) 2005-07-07 US disclosed
US-20050148627-A1 Benzopyran compounds for use in the treatment and prevention of inflammation related conditions CARTER JEFFERY (US) 2005-07-07 US disclosed
WO-2004087687-A1 CHROMENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS PHARMACIA CORPORATION (US) 2004-10-14 WO disclosed
WO-2004087686-A2 BENZOPYRAN COMPOUNDS USEFUL FOR TREATING INFLAMMATORY CONDITIONS PHARMACIA CORPORATION (US) 2004-10-14 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 (4 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-20050148777-A1 Benzopyran compounds useful for treating inflammatory conditions PTGES2, PTGER2, PTGS2 ALDH1A1 560/4885MEN1 4157/4885KMT2A 3462/4885
US-20080255111-A1 Tissue Factor Production Inhibitor PTAFR, PLAT, TFPI ALDH1A1 4330/4885MEN1 2918/4885KMT2A 2789/4885
US-20050148627-A1 Benzopyran compounds for use in the treatment and prevention of inflammation related conditions PTGES2, PTGER2, PTGES ALDH1A1 422/4885MEN1 3768/4885KMT2A 2756/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 ALDH1A1 3512/4885MEN1 4333/4885KMT2A 2190/4885

“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.