Cycloheptanone

Cycloheptanone

SCHEMBL14739731

CN1[C@@H]2CCC[C@@]1(O)CC2.O=C1CCCCCC1

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.35
TRIM33 Q9UPN9 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL4541902 0.84 ALDH1A1 (0.31) ALDH1A1
SCHEMBL17274595 0.84 ALDH1A1 (0.31) ALDH1A1
SCHEMBL6944862 0.84 ALDH1A1 (0.31) ALDH1A1
Hydrochloric Acid SCHEMBL7301084 0.82
SCHEMBL6729329 0.80 ALDH1A1 (0.32) ALDH1A1
SCHEMBL6726321 0.80 ALDH1A1 (0.32) ALDH1A1
SCHEMBL11846859 0.65 ALDH1A1 (0.35) ALDH1A1
Cyclohexanone SCHEMBL16238114 0.62 TRIM24 (0.79) TRIM24TRIM33ALDH1A1
Methyl Alcohol SCHEMBL5716663 0.62 TRIM24 (0.79) TRIM24TRIM33ALDH1A1
Cyclohexanone SCHEMBL1961575 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059924-A1 PHOTOSTABILISERS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-03-07 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-20130059924-A1 PHOTOSTABILISERS ALDH1A1, ALDH18A1, ALDH1A2 TRIM24 3703/4885TRIM33 3853/4885ALDH1A1 1/4885

“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.