SCHEMBL2292473

SCHEMBL2292473

Cc1cccc(C)c1OCc1cc(Oc2ccc(F)cc2)ccc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 3/20 0.39
MAOB P27338 2/20 0.37
MAPK14 Q16539 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
CACNA1B Q00975 2/20 0.35
CACNA1H O95180 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SLC6A4 P31645 2/20 0.33
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MPO P05164 1/20 0.33
HTR1A P08908 1/20 0.33
FFAR1 O14842 1/20 0.33
PPARG P37231 1/20 0.33
MMP1 P03956 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
SCHEMBL2290427 0.89 THRA (0.41) MAOBTHRATHRBFFAR4FFAR1
SCHEMBL2295413 0.88 SCN8A (0.41) SCN8AMAOBTHRATHRBNPC1
SCHEMBL2292902 0.87 MAPT (0.37) SCN8AMAPK14THRATHRBSLC6A4
SCHEMBL2295541 0.86 SCN8A (0.38) SCN8AMAOBMAPK14THRATHRB
SCHEMBL2290093 0.85 FFAR1 (0.42) SCN8ATHRATHRBSLC6A4FFAR4
SCHEMBL2294114 0.82 SCN8A (0.43) SCN8AMAOBTHRATHRBSLC6A4
SCHEMBL2292794 0.81 SCN8A (0.39) SCN8AMAOBTHRATHRBCACNA1B
SCHEMBL2293768 0.81 TP53 (0.39) SCN8ATHRATHRBNPC1RAB9A
SCHEMBL2294687 0.80 SCN8A (0.46) SCN8AMAOBTHRATHRBSLC6A4
SCHEMBL2289106 0.80 FFAR4 (0.46) THRATHRBNPC1RAB9ASLC6A4

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
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 SCN8A 1991/4885MAOB 272/4885MAPK14 4512/4885

“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.