SCHEMBL2287457

SCHEMBL2287457

Cc1cccc(C)c1OCc1cc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.44
ALPI P09923 1/20 0.44
CYP19A1 P11511 10/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAOA P21397 1/20 0.37
HTR2A P28223 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL2291235 0.88 KMT2A (0.41) MAPTMEN1GAAKMT2ACYP1A2
SCHEMBL2288713 0.86 MAOA (0.45) ALPLALPIMAPTMEN1GAA
SCHEMBL2288081 0.85 ALPL (0.45) ALPLALPICYP19A1MAPTMEN1
SCHEMBL2294508 0.80 THRA (0.39) ALPLMAPTMEN1KMT2ACYP1A2
SCHEMBL2290573 0.79 CA1 (0.41) ALPLALPICYP19A1MAPTHTT
SCHEMBL2291315 0.76 MAOA (0.44) ALPLALPIMAPTMEN1GAA
SCHEMBL2287492 0.75 THRA (0.38) MAPTMEN1KMT2AALDH1A1
SCHEMBL2295545 0.73 MEN1 (0.45) MAPTMEN1GAAHPGDKMT2A
SCHEMBL2292560 0.73 LMNA (0.41) MAPTMEN1GAAHPGDKMT2A
SCHEMBL2292756 0.72 MAPT (0.44) MAPTMEN1GAAHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2149545-B1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2016-10-05 EP disclosed
US-7994367-B2 Method for producing benzaldehyde compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-09 US disclosed
US-20100210879-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-08-19 US disclosed
EP-2149545-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-02-03 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 (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-20100210879-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND NQO1, C9, TRPA1 ALPL 4559/4885ALPI 4576/4885CYP19A1 636/4885

“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.