SCHEMBL22803402

SCHEMBL22803402

CCC(=O)CCOCc1cn(CC)nn1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 5/20 0.40
DGAT1 O75907 7/20 0.40
ALOX5 P09917 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
HDAC1 Q13547 1/20 0.34
FFAR1 O14842 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
SCHEMBL20694373 0.87 HSP90AB1 (0.41) HSP90AB1DGAT1ALOX5MMP2MMP9
SCHEMBL21087467 0.83 DGAT1 (0.51) DGAT1
SCHEMBL22803422 0.83 DGAT1 (0.41) HSP90AB1DGAT1MMP2MMP9MMP8
SCHEMBL9889273 0.82 HSP90AB1 (0.40) HSP90AB1DGAT1ALOX5MMP2MMP9
SCHEMBL19704939 0.81 DGAT1 (0.44) DGAT1MMP2MMP9MMP8MMP13
SCHEMBL24702107 0.80 HDAC1 (0.40) HDAC1FFAR1
SCHEMBL20257915 0.80 HSP90AB1 (0.40) HSP90AB1DGAT1
SCHEMBL21087029 0.80 DGAT1 (0.55) DGAT1MMP2MMP9MMP8MMP13
SCHEMBL19652940 0.79 HSP90AB1 (0.49) HSP90AB1DGAT1
SCHEMBL23974499 0.78 HDAC1 (0.43) HDAC1

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-20200390895-A1 UNIVERSAL ABT COMPOUNDS AND USES THEREOF KLEO PHARMACEUTICALS, INC. 2020-12-17 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-20200390895-A1 UNIVERSAL ABT COMPOUNDS AND USES THEREOF CD47, MCL1, BCL9 HSP90AB1 639/4885DGAT1 1956/4885ALOX5 4094/4885

“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.