SCHEMBL2295541

SCHEMBL2295541

Cc1cccc(C)c1OCc1cc(Oc2ccccc2F)ccc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 1/20 0.38
HTR2A P28223 3/20 0.37
SLC6A4 P31645 3/20 0.37
MAPT P10636 3/20 0.36
LMNA P02545 3/20 0.36
MAPK14 Q16539 2/20 0.36
ALPG P10696 1/20 0.36
PPARG P37231 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
GCK P35557 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
FFAR1 O14842 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
ALOX12 P18054 1/20 0.35
BLM P54132 1/20 0.35
PLEC Q15149 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL2290093 0.90 FFAR1 (0.42) SCN8AHTR2ASLC6A4PPARGTHRA
SCHEMBL2292473 0.86 SCN8A (0.39) SCN8AHTR2ASLC6A4MAPK14PPARG
SCHEMBL2292902 0.84 MAPT (0.37) SCN8AHTR2ASLC6A4MAPTLMNA
SCHEMBL2290427 0.83 THRA (0.41) THRATHRBFFAR1ALDH1A1L3MBTL1
SCHEMBL2294471 0.82 ALDH1A1 (0.42) SCN8AHTR2ASLC6A4MAPTLMNA
SCHEMBL2289106 0.81 FFAR4 (0.46) HTR2ASLC6A4MAPTLMNATHRA
SCHEMBL2295413 0.80 SCN8A (0.41) SCN8AMAPTLMNATHRATHRB
SCHEMBL2294114 0.79 SCN8A (0.43) SCN8ASLC6A4MAPTLMNATHRA
SCHEMBL2293768 0.78 TP53 (0.39) SCN8AHTR2ASLC6A4MAPTLMNA
SCHEMBL27777979 0.78 PARP10 (0.40) HTR2ASLC6A4GCKPARP10

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
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 1991/4885HTR2A 667/4885SLC6A4 1544/4885

“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.