SCHEMBL22904278

SCHEMBL22904278

CC(C)(C)OC(=O)NCCCCCC#Cc1cccc(Oc2cccc3c2C(=O)NC(=O)C3=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 7/20 0.41
▸ DDB1 Q16531 1/20 0.40
▸ CRBN Q96SW2 1/20 0.40
▸ PDPK1 O15530 1/20 0.39
▸ CCNB2 O95067 1/20 0.39
▸ PRKCB P05771 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ LYN P07948 1/20 0.39
▸ CCNB1 P14635 1/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ RPS6KA3 P51812 1/20 0.39
▸ CCNA1 P78396 1/20 0.39
▸ CCNB3 Q8WWL7 1/20 0.39
▸ CA12 O43570 4/20 0.37
▸ CA1 P00915 4/20 0.37
▸ CA2 P00918 4/20 0.37
▸ CA9 Q16790 4/20 0.37
▸ DRD2 P14416 4/20 0.36

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
SCHEMBL22904111 0.91 ADORA3 (0.34) ADORA3DDB1CRBNPDPK1CCNB2
SCHEMBL22904494 0.86 PDPK1 (0.42) ADORA3DDB1CRBNPDPK1CCNB2
SCHEMBL22904495 0.86 PDPK1 (0.42) ADORA3DDB1CRBNPDPK1CCNB2
SCHEMBL22904410 0.86 DDB1 (0.42) ADORA3DDB1CRBNCA12CA1
SCHEMBL22904412 0.86 DDB1 (0.42) ADORA3DDB1CRBNCA12CA1
SCHEMBL22904102 0.82 DDB1 (0.43) ADORA3DDB1CRBNPDPK1CCNB2
SCHEMBL22904497 0.81 CA1 (0.41) PDPK1CCNB2PRKCBCDK1LYN
SCHEMBL22904156 0.78 IDO1 (0.43) PDPK1CCNB2PRKCBCDK1LYN
SCHEMBL22904409 0.77 DRD2 (0.41) ADORA3DDB1CRBNCA12CA1
SCHEMBL22904100 0.74 DDB1 (0.52) DDB1CRBNDRD2BRD4

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
WO-2021011631-A1 FUSED-GLUTARIMIDE CRBN LIGANDS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-01-21 — — WO disclosed
US-20160331734-A1 SUBSTITUTED N-ARYL PYRIDINONES AUSPEX PHARMACEUTICALS, INC. 2016-11-17 — — 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-20160331734-A1 SUBSTITUTED N-ARYL PYRIDINONES COL1A1, COL2A1, COLGALT1 ADORA3 2727/4885DDB1 2058/4885CRBN 1059/4885

“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.

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