SCHEMBL6699772

SCHEMBL6699772

CC(C)C(O)(CCc1ccc(C(F)(F)F)cc1)CC(=O)n1ccnc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 1/20 0.41
FLT1 P17948 4/20 0.39
KDR P35968 4/20 0.39
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HRH3 Q9Y5N1 4/20 0.36
NOS1 P29475 2/20 0.36
CYP26A1 O43174 1/20 0.35

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
SCHEMBL6699765 0.89 CYP19A1 (0.42)
SCHEMBL6696472 0.88 MEN1 (0.40) ALDH1A1
SCHEMBL6694813 0.86 CYP24A1 (0.43) KDM4E
SCHEMBL6692213 0.85 NR3C2 (0.39)
SCHEMBL11034043 0.84 HMOX1 (0.44) HMOX1FLT1KDRHRH3NOS1
SCHEMBL7638503 0.84 TBXAS1 (0.42) ALDH1A1KDM4E
SCHEMBL6694121 0.84 CYP24A1 (0.33) KDM4E
SCHEMBL7638512 0.84 TBXAS1 (0.42) ALDH1A1KDM4E
SCHEMBL6694672 0.81 CYP11B1 (0.42) NOS1
SCHEMBL6691020 0.81 HTT (0.36) ALDH1A1L3MBTL1KDM4E

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-20040106606-A1 HIV protease inhibitors BOYER FREDERICK EARL (US) 2004-06-03 US claimed
US-6528510-B1 Dihydropyrones with tethered heterocycles; 3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsulfanyl)-4-hydroxy-6 -isopropyl-6-(2-pyridin-4-yl-ethyl)-5,6-dihydro-pyran - 2-one; WARNER-LAMBERT COMPANY 2003-03-04 US claimed

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-20040106606-A1 HIV protease inhibitors DNPEP, PREP, PEPD HMOX1 1574/4885FLT1 4160/4885KDR 4537/4885

“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.