SCHEMBL24345774

SCHEMBL24345774

O=Cc1cc(C2CCOCC2)[nH]n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.47
HCAR2 Q8TDS4 3/20 0.41
MKNK1 Q9BUB5 2/20 0.35
MKNK2 Q9HBH9 2/20 0.35
HCAR3 P49019 1/20 0.34
CDK2 P24941 7/20 0.33
CCNA2 P20248 5/20 0.33
CCNA1 P78396 5/20 0.33
LRRK2 Q5S007 1/20 0.33
IGF1R P08069 1/20 0.33
USP30 Q70CQ3 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK9 P50750 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.32
DRD4 P21917 1/20 0.32

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
SCHEMBL23854650 0.88 HCAR2 (0.50) DAOHCAR2MKNK1MKNK2HCAR3
SCHEMBL31532374 0.86 HCAR2 (0.54) DAOHCAR2MKNK1MKNK2HCAR3
SCHEMBL4016705 0.74 DAO (0.47) DAOHCAR2MKNK1MKNK2HCAR3
SCHEMBL19296055 0.74 DAO (0.47) DAOHCAR2MKNK1MKNK2HCAR3
SCHEMBL27217090 0.74 DAO (0.47) DAOHCAR2MKNK1MKNK2HCAR3
SCHEMBL23103095 0.70 DAO (0.44) DAOHCAR2HCAR3CDK2CCNA2
SCHEMBL23425719 0.70 DAO (0.44) DAOHCAR2MKNK1MKNK2HCAR3
SCHEMBL22327725 0.70 DAO (0.44) DAOHCAR2MKNK1MKNK2HCAR3
SCHEMBL14334355 0.67 DAO (0.40) DAOCDK9PIK3C3
SCHEMBL23133710 0.66 DAO (0.40) DAOHCAR2HCAR3CDK2CCNA2

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-20220106327-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-07 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-20220106327-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, PNLIP, APOB DAO 806/4885HCAR2 4880/4885MKNK1 922/4885

“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.