SCHEMBL2292756

SCHEMBL2292756

COc1cc(Br)c(COc2c(C)cccc2C)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
RAB9A P51151 2/20 0.42
SCN8A Q9UQD0 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 3/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
KCNH2 Q12809 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40

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
SCHEMBL2291283 0.84 THRA (0.40) MAPTKMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL2294508 0.82 THRA (0.39) MAPTKMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL2295493 0.81 THRA (0.36) MAPTKMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL2286474 0.81 PTPN1 (0.50) MAPTKMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL2289303 0.80 THRA (0.40) MAPTKMT2ASMN1; SMN2POLBALDH1A1
Benzene SCHEMBL2292612 0.80 PTPN1 (0.49) MAPTKMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL2294114 0.80 SCN8A (0.43) MAPTKMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL2295286 0.78 ALDH1A1 (0.46) MAPTKMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL2287492 0.77 THRA (0.38) MAPTKMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL2295218 0.77 THRA (0.46) MAPTKMT2ASMN1; SMN2POLBALDH1A1

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 MAPT 3284/4885KMT2A 481/4885SMN1; SMN2 3093/4885

“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.