SCHEMBL2295209

SCHEMBL2295209

Cc1cc(O[Si](C)(C)C)cc(COc2c(C)cccc2C)c1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
POLB P06746 3/20 0.38
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
LMNA P02545 3/20 0.34
APOBEC3G Q9HC16 1/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SCN4A P35499 7/20 0.33
SCN1A P35498 2/20 0.33
SCN5A Q14524 2/20 0.33
SCN9A Q15858 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
NFKB1 P19838 2/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 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
SCHEMBL2295170 0.86 SCN2A (0.36) ALDH1A1POLBTHRATHRBLMNA
SCHEMBL2291408 0.84 SCN8A (0.40) ALDH1A1POLBTHRATHRBLMNA
SCHEMBL2289827 0.83 THRA (0.39) ALDH1A1POLBTHRATHRBLMNA
SCHEMBL2290417 0.80 CDK4 (0.38) ALDH1A1POLBTHRATHRBLMNA
SCHEMBL2292619 0.80 PTPN1 (0.44) ALDH1A1POLBTHRATHRBLMNA
SCHEMBL2291322 0.79 THRA (0.41) ALDH1A1POLBTHRATHRBLMNA
SCHEMBL2289720 0.78 THRA (0.35) ALDH1A1POLBTHRATHRBLMNA
SCHEMBL3149262 0.77 ALDH1A1 (0.37) ALDH1A1POLBTHRATHRBLMNA
SCHEMBL2291283 0.76 THRA (0.40) ALDH1A1POLBTHRATHRBLMNA
SCHEMBL2292752 0.76 ALDH1A1 (0.34) ALDH1A1LMNAMAPT

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 83/4885POLB 2344/4885THRA 3834/4885

“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.