SCHEMBL2289109

SCHEMBL2289109

Cc1cc(C)c(C=O)c(COc2c(C)cccc2C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.43
ALDH1A1 P00352 2/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CDK4 P11802 2/20 0.37
CCND1 P24385 2/20 0.37
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
SCN4A P35499 7/20 0.36
MAOA P21397 3/20 0.36
LMNA P02545 2/20 0.36
SCN1A P35498 2/20 0.36
SCN5A Q14524 2/20 0.36

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
SCHEMBL2293742 0.90 NR3C1 (0.39) NR3C1ALDH1A1POLBMEN1MAPT
SCHEMBL2292621 0.84 ALDH1A1 (0.41) ALDH1A1POLBMEN1MAPTKMT2A
SCHEMBL2290417 0.81 CDK4 (0.38) ALDH1A1POLBMEN1MAPTKMT2A
SCHEMBL2289821 0.81 TSHR (0.39) ALDH1A1POLBMEN1MAPTKMT2A
SCHEMBL2292137 0.81 CCNB2 (0.36) NR3C1ALDH1A1POLBMEN1MAPT
SCHEMBL2291168 0.81 PTPN1 (0.42) ALDH1A1POLBMEN1MAPTKMT2A
SCHEMBL2289671 0.79 MEN1 (0.39) ALDH1A1POLBMEN1MAPTKMT2A
SCHEMBL2291322 0.76 THRA (0.41) NR3C1ALDH1A1POLBMEN1MAPT
SCHEMBL2291217 0.75 SCN2A (0.39) NR3C1ALDH1A1POLBMEN1MAPT
SCHEMBL1539552 0.74 CDK4 (0.44) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2

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 NR3C1 947/4885ALDH1A1 83/4885POLB 2344/4885

“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.