SCHEMBL4258050

SCHEMBL4258050

CCCCCCOC(=O)c1cc(=O)c2cccc([N+](=O)[O-])c2o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.61
ESR1 P03372 1/20 0.51
MAOB P27338 1/20 0.51
MAPT P10636 1/20 0.43
CACNA1F O60840 1/20 0.43
CACNA1D Q01668 1/20 0.43
CACNA1S Q13698 1/20 0.43
CACNA1C Q13936 1/20 0.43
LMNA P02545 3/20 0.42
TSHR P16473 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40
MMP2 P08253 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL4251271 0.99 GPR35 (0.62) GPR35ESR1MAOBMAPTCACNA1F
SCHEMBL4253678 0.96 GPR35 (0.63) GPR35ESR1MAOBMAPTLMNA
SCHEMBL4256024 0.92 GPR35 (0.65) GPR35ESR1MAOBMAPTLMNA
SCHEMBL4249992 0.88 GPR35 (0.67) GPR35MAOBMAPTLMNAALDH1A1
SCHEMBL4251481 0.85 ESR1 (0.51) GPR35ESR1MAOBMAPTCACNA1F
SCHEMBL4249348 0.84 MAOB (0.52) GPR35ESR1MAOBMAPTCACNA1F
SCHEMBL4247919 0.84 GPR35 (0.65) GPR35MAOBMAPTCACNA1FCACNA1D
SCHEMBL4256564 0.82 MAOB (0.58) GPR35MAOBMAPTLMNATSHR
SCHEMBL4252003 0.82 GPR35 (0.69) GPR35MAOBMAPTLMNAALDH1A1
SCHEMBL4254530 0.82 GPR35 (0.72) GPR35MAPTLMNAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2105431-A1 Process for Producing Chromone Compound Sumitomo Chemical Company, Limited (JP) 2009-09-30 EP disclosed
EP-2105432-A1 Process for Producing Chromone Compound Sumitomo Chemical Company, Limited (JP) 2009-09-30 EP disclosed
EP-1867626-A2 Process for producing chromone compound Sumitomo Chemical Company, Limited (JP) 2007-12-19 EP disclosed
US-20060217565-A1 Process for producing chromone compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-09-28 US disclosed
US-7094914-B2 Process for producing chromone compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-08-22 US disclosed
US-20050085664-A1 Process for producing chromone compound SUMITOMO CHEMICAL COMPANY, LMITED (JP) 2005-04-21 US disclosed
EP-1479667-A1 PROCESS FOR PRODUCING CHROMONE COMPOUND Sumitomo Chemical Company, Limited (JP) 2004-11-24 EP 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 (2 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-20050085664-A1 Process for producing chromone compound ENY2, CDY1; CDY1B, CDYL GPR35 2693/4885ESR1 143/4885MAOB 476/4885
US-20060217565-A1 Process for producing chromone compound ENY2, CDY1; CDY1B, CDYL GPR35 2693/4885ESR1 143/4885MAOB 476/4885

“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.