SCHEMBL22175290

SCHEMBL22175290

CC(=O)C1CCCC(C)(C)C1=O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ POLB P06746 1/20 0.31

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
SCHEMBL23369354 0.88 ALDH1A1 (0.31) ALDH1A1
SCHEMBL21662997 0.81 POLB (0.30) POLB
SCHEMBL3236730 0.79 CYP1A2 (0.37) ALDH1A1
SCHEMBL4128790 0.74 CYP1A2 (0.36) ALDH1A1
SCHEMBL18622305 0.73 CYP2D6 (0.33) POLB
SCHEMBL1381231 0.72 CYP19A1 (0.36) POLB
SCHEMBL3349568 0.72 MT-CO2 (0.33) ALDH1A1TDP1
SCHEMBL21663136 0.71 POLB (0.31) POLB
SCHEMBL16496792 0.71 MT-CO2 (0.32) —
SCHEMBL15385471 0.71 MAPK1 (0.33) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11535640-B2 Metal complexes MERCK PATENT GMBH (DE) 2022-12-27 — — US disclosed
EP-3658564-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2021-05-19 — — EP disclosed
US-20200207794-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-07-02 — — 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 (2 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-20200207794-A1 METAL COMPLEXES IMMT, MCU, SOD1 ALDH1A1 1473/4885TDP1 2399/4885POLB 1166/4885
US-11535640-B2 Metal complexes IMMT, MCU, SOD1 ALDH1A1 1473/4885TDP1 2399/4885POLB 1166/4885

“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.

Send feedback