SCHEMBL2289720

SCHEMBL2289720

Cc1cc(OS(C)(=O)=O)cc(COc2c(C)cccc2C)c1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
ATM Q13315 1/20 0.34
NR3C1 P04150 1/20 0.34
ALDH1A1 P00352 2/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SPHK1 Q9NYA1 1/20 0.32
SCN4A P35499 3/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL2289705 0.87 ALDH1A1 (0.41) THRATHRBNR3C1ALDH1A1EDNRB
SCHEMBL2289782 0.84 THRA (0.38) THRATHRBATMNR3C1ALDH1A1
SCHEMBL2295503 0.84 MEN1 (0.40) ALDH1A1MEN1KMT2ALMNA
SCHEMBL2292137 0.83 CCNB2 (0.36) ATMNR3C1ALDH1A1MEN1POLB
SCHEMBL2291408 0.82 SCN8A (0.40) THRATHRBATMALDH1A1MEN1
SCHEMBL2292619 0.80 PTPN1 (0.44) THRATHRBATMALDH1A1MEN1
SCHEMBL2294508 0.78 THRA (0.39) THRATHRBNR3C1ALDH1A1MEN1
SCHEMBL2295209 0.78 ALDH1A1 (0.38) THRATHRBATMALDH1A1MEN1
SCHEMBL2291322 0.77 THRA (0.41) THRATHRBNR3C1ALDH1A1EDNRB
SCHEMBL2289714 0.77 ALDH1A1 (0.39) ALDH1A1LMNA

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 4314/4885ATM 2333/4885

“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.