SCHEMBL12806563

SCHEMBL12806563

CCc1ccc(Oc2cccc(Br)c2)cc1O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.44
MAOA P21397 2/20 0.44
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
SOD1 P00441 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL12806837 0.85 CYP3A4 (0.51)
SCHEMBL12806688 0.85 MAOB (0.43) MAOBMAOAMAPTKMT2A
SCHEMBL921465 0.85 POLB (0.47) MAPTKMT2A
SCHEMBL12806924 0.84 MAOB (0.41) MAOBALDH1A1KDM4ELMNAFNTA
SCHEMBL12806640 0.83 LTA4H (0.53) ALDH1A1KDM4E
SCHEMBL12806918 0.80 LTA4H (0.55) KMT2A
SCHEMBL12806942 0.80 TRPA1 (0.45)
SCHEMBL921158 0.78 ESR1 (0.46) MAPTKMT2A
SCHEMBL12806625 0.78 HSP90AA1 (0.50) MAPTKMT2A
SCHEMBL12806901 0.78 CYP3A4 (0.47) KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932283-B2 Fungicide N-cyclopropyl-sulfonylamide derivatives BAYER CROPSCIENCE AG (DE) 2011-04-26 US disclosed
US-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives BAYER CROPSCIENCE AG (DE) 2009-05-28 US 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-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives CYP51A1, ERG28, CBR3 MAOB 2906/4885MAOA 2645/4885ALDH1A1 2140/4885

“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.