SCHEMBL2286209

SCHEMBL2286209

Cc1cccc(C)c1OCc1cc(OS(C)(=O)=O)cc(C(C)(C)C)c1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
SCN2A Q99250 2/20 0.36
NR3C1 P04150 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CCND1 P24385 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTGER1 P34995 1/20 0.31
PTGER4 P35408 1/20 0.31
PTGER3 P43115 1/20 0.31
PTGER2 P43116 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL2292137 0.87 CCNB2 (0.36) ALDH1A1SCN2ANR3C1CCNB2CDK1
SCHEMBL2289732 0.86 MEN1 (0.36) ALDH1A1SCN2ANR3C1MEN1POLB
SCHEMBL2289705 0.85 ALDH1A1 (0.41) ALDH1A1SCN2ANR3C1MEN1POLB
SCHEMBL2294121 0.84 CYP3A4 (0.39) ALDH1A1SCN2AMEN1POLBMAPT
SCHEMBL2291179 0.84 SCN2A (0.36) ALDH1A1SCN2ANR3C1CCNB2CDK1
SCHEMBL2291217 0.82 SCN2A (0.39) ALDH1A1SCN2ANR3C1CCNB2CDK1
SCHEMBL2293032 0.79 SCN2A (0.42) ALDH1A1SCN2ANR3C1CCNB2CDK1
SCHEMBL2289834 0.79 ALDH1A1 (0.38) ALDH1A1NR3C1CCNB2CDK1CDK4
SCHEMBL2289720 0.76 THRA (0.35) ALDH1A1SCN2ANR3C1MEN1POLB
SCHEMBL2289128 0.73 ALDH1A1 (0.37) ALDH1A1NR3C1CCNB2CDK1CDK4

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
US-7994328-B2 Process for the preparation of donepezil hydrochloride AUROBINDO PHARMA LTD. (IN) 2011-08-09 US 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
US-20070191610-A1 Process for the preparation of donepezil hydrochloride AUROBINDO PHARMA LTD (IN) 2007-08-16 US 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 (2 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-20070191610-A1 Process for the preparation of donepezil hydrochloride CHRNA5, QDPR, ACHE ALDH1A1 569/4885SCN2A 524/4885NR3C1 3457/4885
US-20100210879-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND NQO1, C9, TRPA1 ALDH1A1 83/4885SCN2A 1208/4885NR3C1 947/4885

“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.