SCHEMBL2289732

SCHEMBL2289732

Cc1ccc(S(=O)(=O)Oc2cc(COc3c(C)cccc3C)c(C=O)c(C(C)(C)C)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 4/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
SCN2A Q99250 2/20 0.33
MAOB P27338 2/20 0.33
MAOA P21397 1/20 0.33
GAA P10253 4/20 0.32
MAPT P10636 1/20 0.32
G6PD P11413 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
DRD3 P35462 1/20 0.32
NR3C1 P04150 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
SCHEMBL2289671 0.88 MEN1 (0.39) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL2292232 0.87 MEN1 (0.37) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL2286209 0.86 ALDH1A1 (0.40) MEN1KMT2AALDH1A1SCN2AGAA
SCHEMBL2292546 0.81 MEN1 (0.44) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL2291179 0.80 SCN2A (0.36) MEN1KMT2AALDH1A1LMNASCN2A
SCHEMBL2294121 0.80 CYP3A4 (0.39) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL2295503 0.78 MEN1 (0.40) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL2291217 0.78 SCN2A (0.39) MEN1KMT2AALDH1A1LMNASCN2A
SCHEMBL2295545 0.76 MEN1 (0.45) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL2292560 0.75 LMNA (0.41) MEN1KMT2AALDH1A1LMNAHPGD

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 MEN1 186/4885KMT2A 481/4885ALDH1A1 83/4885

“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.