SCHEMBL2294121

SCHEMBL2294121

CC(=O)Oc1cc(COc2c(C)cccc2C)c(C=O)c(C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
SCN2A Q99250 2/20 0.38
PTPN1 P18031 2/20 0.38
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MAOB P27338 1/20 0.34
GAA P10253 1/20 0.34
BACE1 P56817 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 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
SCHEMBL2291168 0.87 PTPN1 (0.42) CYP3A4PTPN1ALDH1A1KDM4EHPGD
SCHEMBL2286209 0.84 ALDH1A1 (0.40) SCN2AALDH1A1KDM4EMEN1POLB
SCHEMBL2291179 0.84 SCN2A (0.36) SCN2AALDH1A1LMNAMEN1POLB
SCHEMBL2288607 0.84 CYP3A4 (0.40) CYP3A4SCN2APTPN1ALDH1A1KDM4E
SCHEMBL2291217 0.82 SCN2A (0.39) CYP3A4SCN2AALDH1A1KDM4EHSD17B10
SCHEMBL2289732 0.80 MEN1 (0.36) CYP3A4SCN2AALDH1A1KDM4EHPGD
SCHEMBL2293032 0.79 SCN2A (0.42) SCN2AALDH1A1KDM4ELMNAMEN1
SCHEMBL1200926 0.77 LMNA (0.43) CYP3A4PTPN1ALDH1A1KDM4EHPGD
Benzene SCHEMBL2292646 0.76 KDM4E (0.43) CYP3A4PTPN1ALDH1A1KDM4EHPGD
SCHEMBL2292619 0.74 PTPN1 (0.44) CYP3A4PTPN1ALDH1A1KDM4EHPGD

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 CYP3A4 168/4885SCN2A 1208/4885PTPN1 4716/4885

“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.