SCHEMBL6354530

SCHEMBL6354530

FC(F)(F)c1cccc(Oc2cccc(CBr)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.48
FDFT1 P37268 1/20 0.48
IDO1 P14902 2/20 0.47
LTA4H P09960 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
TEAD1 P28347 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FAAH O00519 1/20 0.46
MAPK14 Q16539 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
MAOB P27338 3/20 0.44
KIF11 P52732 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 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
SCHEMBL10737764 0.89 LTA4H (0.52) FDFT1IDO1LTA4HPPARGPPARA
SCHEMBL29355355 0.84 TAAR1 (0.60) CETPIDO1ALDH1A1TAAR1MAOB
SCHEMBL4567 0.84 TAAR1 (0.60) CETPIDO1ALDH1A1TAAR1MAOB
SCHEMBL9798371 0.84 LTA4H (0.54) IDO1LTA4HTEAD1ALDH1A1POLB
SCHEMBL5543857 0.83 FAAH (0.51) CETPFDFT1IDO1LTA4HPPARG
SCHEMBL920369 0.83 MAOB (0.57) FDFT1IDO1LTA4HPPARGPPARA
SCHEMBL13237463 0.83 IDO1 (0.51) FDFT1IDO1LTA4HPPARGPPARA
SCHEMBL11195440 0.83 PRKCA (0.50) CETPFDFT1IDO1LTA4HPPARG
SCHEMBL2008094 0.82 TAAR1 (0.58) CETPIDO1ALDH1A1TAAR1MAOB
SCHEMBL11027533 0.82 TAAR1 (0.58) CETPIDO1ALDH1A1TAAR1MAOB

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
US-20050101783-A1 N-(heterocycle-methyl)alkylamine derivative, process for producing the same, and bactericide KUREHA CORPORATION (JP) 2005-05-12 US disclosed
EP-1391450-A1 N-(HETEROCYCLE-METHYL)ALKYLAMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND BACTERICIDE Kureha Chemical Industry Co., Ltd. (JP) 2004-02-25 EP disclosed
US-4411912-A Insecticidal isovaleric acid esters ZOECON CORPORATION (US) 1983-10-25 US disclosed
US-4243819-A Substituted amino acids ZOECON CORPORATION (US) 1981-01-06 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-20050101783-A1 N-(heterocycle-methyl)alkylamine derivative, process for producing the same, and bactericide HBZ, ACMSD, HDHD5 CETP 2979/4885FDFT1 2890/4885IDO1 135/4885

“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.