SCHEMBL6695149

SCHEMBL6695149

CCN(CC)C(=O)COc1c(S(=O)(=O)CC)ccc(C(=O)OC2=CC(=O)CCC2)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.35
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL6151371 0.89 ALDH1A1 (0.33) ALDH1A1MAPK1HTT
SCHEMBL6693760 0.83 MEN1 (0.40) ALDH1A1HTTNPC1RAB9A
SCHEMBL6848981 0.82 PARP15 (0.33) ALDH1A1MAPK1HTT
SCHEMBL6695155 0.82 ALDH1A1 (0.32) ALDH1A1
SCHEMBL3255597 0.81 NPC1 (0.35) TRPM8ALDH1A1MAPK1HTTNPC1
SCHEMBL5604918 0.81 MEN1 (0.32) ALDH1A1MAPK1HTT
SCHEMBL6426491 0.80 ALDH1A1 (0.34) ALDH1A1
SCHEMBL6151821 0.80 ALDH1A1 (0.34) ALDH1A1
SCHEMBL3255428 0.79 NPC1 (0.44) TRPM8ALDH1A1NPC1RAB9A
SCHEMBL12345808 0.79 ALDH1A1 (0.33) TRPM8ALDH1A1MAPK1HTTNPC1

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-6774086-B2 HERBICIDES BAYER CROPSCIENCE GMBH (DE) 2004-08-10 US disclosed
US-20030191027-A1 3-Aminocarbonyl-substituted benzoylcyclohexanediones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-10-09 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-20030191027-A1 3-Aminocarbonyl-substituted benzoylcyclohexanediones CYP1B1, CBR3, CBR1 TRPM8 4329/4885ALDH1A1 255/4885MAPK1 1274/4885

“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.