SCHEMBL2287384

SCHEMBL2287384

CCc1cccc(OCc2ccccc2Br)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 1/20 0.54
MAOB P27338 7/20 0.49
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
BCHE P06276 3/20 0.46
PARP10 Q53GL7 1/20 0.46
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
IDO1 P14902 2/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL2293090 0.88 CYP4F2 (0.48) MAOBFFAR1FFAR4BCHEPARP10
SCHEMBL2291276 0.85 PPARA (0.48) MAOBFFAR1FFAR4BCHECYP4F2
SCHEMBL2293337 0.84 MAOB (0.45) MAOBFFAR1FFAR4BCHEPARP10
SCHEMBL2293600 0.82 FFAR4 (0.60) SOD1MAOBFFAR1FFAR4PARP10
SCHEMBL13766428 0.81 SOD1 (0.50) SOD1MAOBBCHEKDM4EALDH1A1
SCHEMBL2290158 0.81 MAOB (0.54) MAOBFFAR1FFAR4PARP10ALDH1A1
SCHEMBL13462916 0.80 ABCB1 (0.64) SOD1MAOBBCHEPARP10KDM4E
SCHEMBL91188 0.80 MAOB (0.68) SOD1MAOBBCHEKDM4EALDH1A1
SCHEMBL29925214 0.80 MAOB (0.68) SOD1MAOBBCHEKDM4EALDH1A1
SCHEMBL20404210 0.79 FFAR1 (0.47) SOD1MAOBFFAR1FFAR4BCHE

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 SOD1 54/4885MAOB 272/4885FFAR1 3643/4885

“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.