SCHEMBL2292137

SCHEMBL2292137

Cc1cc(OS(C)(=O)=O)cc(COc2c(C)cccc2C)c1C=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCNB1 P14635 1/20 0.36
CCND1 P24385 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGER4 P35408 3/20 0.33
PTGER3 P43115 3/20 0.33
PTGER2 P43116 3/20 0.33
PTGER1 P34995 2/20 0.33
ATM Q13315 1/20 0.33
NR3C1 P04150 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 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
SCHEMBL2286209 0.87 ALDH1A1 (0.40) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL2292621 0.85 ALDH1A1 (0.41) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL2289671 0.84 MEN1 (0.39) ALDH1A1MEN1POLBMAPTKMT2A
SCHEMBL2289834 0.84 ALDH1A1 (0.38) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL2289720 0.83 THRA (0.35) ALDH1A1MEN1POLBMAPTKMT2A
SCHEMBL2291168 0.82 PTPN1 (0.42) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL2290417 0.82 CDK4 (0.38) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL2289109 0.81 NR3C1 (0.43) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL2289128 0.78 ALDH1A1 (0.37) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL2289782 0.78 THRA (0.38) ALDH1A1MEN1POLBMAPTKMT2A

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 CCNB2 116/4885CDK1 238/4885CDK4 235/4885

“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.