SCHEMBL2289714

SCHEMBL2289714

Cc1cc(OS(C)(=O)=O)cc(CBr)c1Br

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
LMNA P02545 1/20 0.35
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 2/20 0.33
PDIA6 Q15084 1/20 0.31

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
SCHEMBL14849958 0.84 ALDH1A1 (0.42) ALDH1A1LMNAKDM4EGAAHPGD
SCHEMBL2293276 0.80 ALDH1A1 (0.48) ALDH1A1
SCHEMBL2288088 0.79 MEN1 (0.43) ALDH1A1LMNAGAAHPGD
SCHEMBL2289720 0.77 THRA (0.35) ALDH1A1LMNA
SCHEMBL2289174 0.77 ALDH1A1 (0.39) ALDH1A1LMNAHPGD
SCHEMBL2296280 0.75 ALDH1A1 (0.41) ALDH1A1LMNAKDM4EGAAHPGD
SCHEMBL203680 0.75 ALDH1A1 (0.43) ALDH1A1LMNAKDM4EGAAHPGD
SCHEMBL20582868 0.74 ALDH1A1 (0.44) ALDH1A1LMNAKDM4EGAAHPGD
SCHEMBL29497677 0.74 ALDH1A1 (0.44) ALDH1A1LMNAKDM4EGAAHPGD
SCHEMBL6901293 0.73 ALDH1A1 (0.41) ALDH1A1KDM4EGAAHPGD

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 ALDH1A1 83/4885LMNA 1225/4885KDM4E 1499/4885

“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.