SCHEMBL2293337

SCHEMBL2293337

CC(C)Cc1cccc(OCc2ccccc2Br)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.45
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
PARP10 Q53GL7 1/20 0.43
TAAR1 Q96RJ0 2/20 0.42
BCHE P06276 3/20 0.41
CD274 Q9NZQ7 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
IDO1 P14902 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
SCHEMBL2287384 0.84 SOD1 (0.54) MAOBFFAR1FFAR4PARP10BCHE
SCHEMBL2290404 0.84 FFAR4 (0.59) MAOBFFAR1FFAR4PARP10IDO1
SCHEMBL321092 0.82 MAOB (0.62) MAOBBCHECYP4F2CYP4A11
SCHEMBL2293090 0.81 CYP4F2 (0.48) MAOBFFAR1FFAR4PARP10BCHE
SCHEMBL2290856 0.80 MAOA (0.46) MAOBBCHECD274CYSLTR2CYSLTR1
SCHEMBL2292480 0.79 KDM4E (0.48) MAOBFFAR1FFAR4PARP10BCHE
SCHEMBL2291846 0.79 FFAR4 (0.45) FFAR1FFAR4PARP10CD274IDO1
SCHEMBL2290205 0.79 FFAR4 (0.50) FFAR1FFAR4CD274IDO1
SCHEMBL2291276 0.79 PPARA (0.48) MAOBFFAR1FFAR4BCHECYP4F2
SCHEMBL2290707 0.78 IDO1 (0.41) FFAR1FFAR4PARP10IDO1

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 MAOB 272/4885FFAR1 3643/4885FFAR4 3092/4885

“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.