SCHEMBL2289782

SCHEMBL2289782

Cc1cccc(C)c1OCc1cc(OS(C)(=O)=O)ccc1Br

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.35
ATM Q13315 1/20 0.34
NR3C1 P04150 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A2 O94788 1/20 0.33
ALDH1B1 P30837 1/20 0.33
ALDH1A3 P47895 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
SCHEMBL2293423 0.86 THRA (0.38) THRATHRBFFAR4
SCHEMBL2289720 0.84 THRA (0.35) THRATHRBALDH1A1ATMNR3C1
SCHEMBL2295545 0.84 MEN1 (0.45) ALDH1A1GAAHPGDMAPTMEN1
SCHEMBL2294508 0.84 THRA (0.39) THRATHRBALDH1A1NR3C1FFAR4
SCHEMBL2289834 0.82 ALDH1A1 (0.38) ALDH1A1KDM4EGAAHPGDATM
SCHEMBL2294114 0.82 SCN8A (0.43) THRATHRBALDH1A1MAPTMEN1
SCHEMBL2293768 0.81 TP53 (0.39) THRATHRBALDH1A1KDM4EGAA
SCHEMBL2295483 0.80 LMNA (0.45) THRATHRBALDH1A1KDM4EGAA
SCHEMBL2288713 0.80 MAOA (0.45) ALDH1A1GAAHPGDMAPTMEN1
SCHEMBL2289705 0.79 ALDH1A1 (0.41) THRATHRBALDH1A1NR3C1MAPT

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 6 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
CN-101679172-B Method for producing benzaldehyde compound SUMITOMO CO LTD 2013-05-29 CN 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
CN-101679172-A Method for producing benzaldehyde compound SUMITOMO CHEMICAL CO 2010-03-24 CN 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 4314/4885ALDH1A1 83/4885

“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.