SCHEMBL2292544

SCHEMBL2292544

Cc1cccc(C)c1OCc1cc(CS(=O)(=O)C(F)(F)F)ccc1Br

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.37
THRB P10828 3/20 0.37
FFAR4 Q5NUL3 4/20 0.35
SCN8A Q9UQD0 7/20 0.35
FFAR1 O14842 2/20 0.34
NR3C1 P04150 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTGER1 P34995 1/20 0.31
PTGER4 P35408 1/20 0.31
PTGER3 P43115 1/20 0.31
PTGER2 P43116 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
SCHEMBL2292751 0.85 THRA (0.40) THRATHRBFFAR4SCN8ANR3C1
SCHEMBL2293180 0.84 SCN8A (0.35) FFAR4SCN8AFFAR1NR3C1MEN1
SCHEMBL2290246 0.80 MAPT (0.41) THRATHRBFFAR4SCN8AFFAR1
SCHEMBL2293423 0.80 THRA (0.38) THRATHRBFFAR4SCN8AFFAR1
SCHEMBL27777987 0.78 FFAR4 (0.37) THRATHRBFFAR4SCN8AFFAR1
SCHEMBL2290430 0.77 THRA (0.40) THRATHRBFFAR4SCN8AMEN1
SCHEMBL2290297 0.76 THRA (0.40) THRATHRBFFAR4SCN8AFFAR1
SCHEMBL2292381 0.75 PTPN1 (0.33)
SCHEMBL2287492 0.75 THRA (0.38) THRATHRBFFAR4SCN8AFFAR1
SCHEMBL2293554 0.75 THRA (0.39) THRATHRBFFAR4SCN8AMEN1

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 4314/4885FFAR4 3092/4885

“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.