SCHEMBL2294508

SCHEMBL2294508

Cc1cccc(C)c1OCc1cc(OS(C)(=O)=O)c(OS(C)(=O)=O)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
MAPT P10636 3/20 0.36
POLB P06746 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NR3C1 P04150 1/20 0.35
CYP1A2 P05177 2/20 0.34
TSHR P16473 2/20 0.34
ALPL P05186 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SCN8A Q9UQD0 2/20 0.34
SCN4A P35499 3/20 0.33
LMNA P02545 3/20 0.33
SCN1A P35498 2/20 0.33
SCN5A Q14524 2/20 0.33
SCN9A Q15858 2/20 0.33
CYP3A4 P08684 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
SCHEMBL2287492 0.86 THRA (0.38) THRATHRBMAPTPOLBALDH1A1
SCHEMBL2291235 0.85 KMT2A (0.41) THRATHRBMAPTALDH1A1MEN1
SCHEMBL2289782 0.84 THRA (0.38) THRATHRBMAPTPOLBALDH1A1
SCHEMBL2292756 0.82 MAPT (0.44) THRATHRBMAPTPOLBALDH1A1
SCHEMBL2289128 0.81 ALDH1A1 (0.37) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL2287457 0.80 ALPL (0.44) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL2286474 0.80 PTPN1 (0.50) THRATHRBMAPTPOLBALDH1A1
SCHEMBL2291283 0.79 THRA (0.40) THRATHRBMAPTPOLBALDH1A1
Benzene SCHEMBL2292612 0.78 PTPN1 (0.49) THRATHRBMAPTPOLBALDH1A1
SCHEMBL2289720 0.78 THRA (0.35) THRATHRBMAPTPOLBALDH1A1

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 THRA 3834/4885THRB 4314/4885MAPT 3284/4885

“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.