SCHEMBL2296290

SCHEMBL2296290

Cc1ccc(Oc2ccc(Br)c(CBr)c2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.41
SLC6A4 P31645 6/20 0.40
HTR2A P28223 5/20 0.40
KCNH2 Q12809 5/20 0.40
NR3C1 P04150 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2288286 0.83 AR (0.44) SLC6A4HTR2ANR3C1ALDH1A1CYP1A2
SCHEMBL2289106 0.80 FFAR4 (0.46) FFAR4SLC6A4HTR2AKCNH2NR3C1
SCHEMBL2291344 0.80 TAAR1 (0.39) FFAR4HTR2AL3MBTL1KDM4EALDH1A1
SCHEMBL30806439 0.80 TAAR1 (0.39) FFAR4HTR2AL3MBTL1KDM4EALDH1A1
SCHEMBL28452075 0.76 SLC6A4 (0.45) SLC6A4HTR2AKCNH2L3MBTL1ALDH1A1
SCHEMBL446449 0.74 AR (0.47) SLC6A4HTR2AKCNH2L3MBTL1ALDH1A1
SCHEMBL22639616 0.74 SLC6A4 (0.44) SLC6A4HTR2AKCNH2L3MBTL1TDP1
SCHEMBL12248268 0.73 SLC6A4 (0.46) SLC6A4HTR2AKCNH2L3MBTL1TDP1
SCHEMBL27778082 0.73 AR (0.43) SLC6A4HTR2ANR3C1ALDH1A1CYP1A2
SCHEMBL2287390 0.72 LTA4H (0.44) SLC6A4HTR2AL3MBTL1KDM4EALDH1A1

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 4 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
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
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 FFAR4 3092/4885SLC6A4 1544/4885HTR2A 667/4885

“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.