SCHEMBL2289705

SCHEMBL2289705

Cc1cccc(C)c1OCc1cc(OS(C)(=O)=O)cc(C(C)(C)C)c1Br

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
SCN2A Q99250 2/20 0.34
NR3C1 P04150 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2289720 0.87 THRA (0.35) ALDH1A1SCN2ANR3C1THRATHRB
SCHEMBL2292232 0.86 MEN1 (0.37) ALDH1A1NR3C1MEN1MAPTKMT2A
SCHEMBL2286209 0.85 ALDH1A1 (0.40) ALDH1A1SCN2ANR3C1MEN1POLB
SCHEMBL2288607 0.82 CYP3A4 (0.40) ALDH1A1SCN2ATHRATHRBMEN1
SCHEMBL2295170 0.81 SCN2A (0.36) ALDH1A1SCN2ATHRATHRBMEN1
SCHEMBL2289782 0.79 THRA (0.38) ALDH1A1NR3C1THRATHRBMEN1
SCHEMBL2295181 0.79 SCN2A (0.39) ALDH1A1SCN2ATHRATHRBMEN1
SCHEMBL2293276 0.77 ALDH1A1 (0.48) ALDH1A1
SCHEMBL2292137 0.76 CCNB2 (0.36) ALDH1A1SCN2ANR3C1MEN1POLB
SCHEMBL2292229 0.76 SCN2A (0.42) ALDH1A1SCN2ATHRATHRBMEN1

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 83/4885SCN2A 1208/4885NR3C1 947/4885

“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.