SCHEMBL2291276

SCHEMBL2291276

CCCCc1cccc(OCc2ccccc2Br)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.48
PPARG P37231 2/20 0.48
BCHE P06276 4/20 0.47
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
FFAR4 Q5NUL3 2/20 0.45
FFAR1 O14842 1/20 0.45
MAOB P27338 2/20 0.44
ABCB1 P08183 3/20 0.44
MGLL Q99685 1/20 0.43
HTR1A P08908 2/20 0.43
DRD2 P14416 2/20 0.43

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 0.92 CYP4F2 (0.48) BCHECYP4F2CYP4A11FFAR4FFAR1
SCHEMBL2287384 0.85 SOD1 (0.54) BCHECYP4F2CYP4A11FFAR4FFAR1
SCHEMBL2291397 0.84 FFAR4 (0.62) BCHEFFAR4FFAR1MAOB
SCHEMBL4568930 0.82 ABCB1 (0.66) BCHEABCB1HTR1ADRD2
SCHEMBL4568936 0.82 CYP4F2 (0.66) PPARAPPARGBCHECYP4F2CYP4A11
SCHEMBL2289830 0.80 PPARA (0.48) PPARAPPARGBCHECYP4F2CYP4A11
SCHEMBL2294129 0.80 FFAR4 (0.50) FFAR4FFAR1ABCB1
SCHEMBL2292592 0.80 FFAR4 (0.53) FFAR4FFAR1ABCB1
SCHEMBL2295145 0.79 THRA (0.42) BCHEFFAR4FFAR1
SCHEMBL2293337 0.79 MAOB (0.45) BCHECYP4F2CYP4A11FFAR4FFAR1

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 PPARA 1930/4885PPARG 834/4885BCHE 3787/4885

“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.