SCHEMBL22175253

SCHEMBL22175253

CC(=O)CC(=O)C1(C)CCCC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FFAR3 O14843 1/20 0.35
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
CETP P11597 2/20 0.33
P2RX7 Q99572 1/20 0.32
RIPK1 Q13546 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
CCR2 P41597 1/20 0.30
KDM4E B2RXH2 1/20 0.30
KDM6B O15054 1/20 0.30
KDM5C P41229 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
PHF8 Q9UPP1 1/20 0.30
KDM2A Q9Y2K7 1/20 0.30

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
SCHEMBL3859830 0.90 FFAR3 (0.43) ALDH1A1SMN1; SMN2FFAR3MGAMGAA
SCHEMBL27560599 0.80 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2FFAR3CETPP2RX7
SCHEMBL17741696 0.80 FFAR3 (0.31) SMN1; SMN2FFAR3MGAMGAASI
SCHEMBL3495830 0.79 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2FFAR3CETPP2RX7
SCHEMBL8533430 0.77 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2FFAR3CETPP2RX7
SCHEMBL14958857 0.76 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2FFAR3CETPP2RX7
SCHEMBL21238456 0.76 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2FFAR3CETPP2RX7
SCHEMBL11376813 0.76 MGAM (0.39) ALDH1A1SMN1; SMN2MGAMGAASI
SCHEMBL12844110 0.76 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2CETPP2RX7RIPK1
SCHEMBL7968390 0.75 FFAR3 (0.38) ALDH1A1SMN1; SMN2FFAR3CETPP2RX7

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-11535640-B2 Metal complexes MERCK PATENT GMBH (DE) 2022-12-27 US 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 1473/4885SMN1; SMN2 4361/4885FFAR3 4529/4885
US-11535640-B2 Metal complexes IMMT, MCU, SOD1 ALDH1A1 1473/4885SMN1; SMN2 4361/4885FFAR3 4529/4885

“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.