SCHEMBL2295413

SCHEMBL2295413

COc1ccc(Oc2ccc(Br)c(COc3c(C)cccc3C)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
LTA4H P09960 2/20 0.38
ALDH1A1 P00352 4/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
PIK3CD O00329 2/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
POLB P06746 1/20 0.35
MAOB P27338 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NPBWR1 P48145 1/20 0.34

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
SCHEMBL2294114 0.92 SCN8A (0.43) SCN8ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2290427 0.90 THRA (0.41) SMN1; SMN2LTA4HALDH1A1KDM4EHTT
SCHEMBL2292473 0.88 SCN8A (0.39) SCN8ATHRATHRBMAOBFFAR4
SCHEMBL2290093 0.84 FFAR1 (0.42) SCN8ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2292902 0.83 MAPT (0.37) SCN8ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2293768 0.82 TP53 (0.39) SCN8ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2287699 0.81 ALDH1A1 (0.43) SCN8ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2289106 0.81 FFAR4 (0.46) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL2295541 0.80 SCN8A (0.38) SCN8ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2289827 0.80 THRA (0.39) SCN8ASMN1; SMN2MEN1KMT2AALDH1A1

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 5 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
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 SCN8A 1991/4885SMN1; SMN2 3093/4885MEN1 186/4885

“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.