SCHEMBL2286452

SCHEMBL2286452

CC[Si](CC)(CC)Oc1cc(C=O)c(COc2c(C)cccc2C)cc1O[Si](CC)(CC)CC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
POLB P06746 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CDK4 P11802 2/20 0.35
CCND1 P24385 2/20 0.35
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
LMNA P02545 3/20 0.32
HTT P42858 1/20 0.32
GAA P10253 2/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTR1A P08908 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
SCHEMBL2290946 0.87 CDK4 (0.39) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL1199399 0.84 CDK4 (0.34) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL2293035 0.83 CDK4 (0.36) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL2295286 0.83 ALDH1A1 (0.46) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL2295493 0.81 THRA (0.36) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL2289128 0.80 ALDH1A1 (0.37) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL2292761 0.79 PTPN1 (0.48) ALDH1A1POLBMEN1KMT2AMAPT
Benzene SCHEMBL2293259 0.78 PTPN1 (0.47) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL2289840 0.75 FFAR1 (0.35) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL2290423 0.75 KMT2A (0.39) ALDH1A1POLBMEN1KMT2AMAPT

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 2344/4885MEN1 186/4885

“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.