SCHEMBL22894081

SCHEMBL22894081

c1ccc2c(-c3ccc4[nH]c5ccc6ccccc6c5c4c3)cccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 12/20 0.54
CCND1 P24385 12/20 0.54
CCNB2 O95067 1/20 0.47
CCNE2 O96020 1/20 0.47
CDK1 P06493 1/20 0.47
CCNB1 P14635 1/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
CCNB3 Q8WWL7 1/20 0.47
ALK Q9UM73 1/20 0.44
MCL1 Q07820 1/20 0.42
ACMSD Q8TDX5 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL28465176 0.90 CDK4 (0.50) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL3271291 0.89 CDK4 (0.55) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL23966739 0.89 CDK4 (0.65) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL14828366 0.89 MCL1 (0.47) CDK4CCND1ALKMCL1ACMSD
SCHEMBL24819443 0.88 CDK4 (0.49) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL3419553 0.85 AHR (0.52) CDK4CCND1ALKMCL1ACMSD
SCHEMBL23609819 0.84 CDK4 (0.73) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL23609720 0.84 CDK4 (0.60) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL22870169 0.84 CDK4 (0.60) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL17563211 0.84 CDK4 (0.73) CDK4CCND1CCNB2CCNE2CDK1

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-20210013411-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2021-01-14 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-20210013411-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, CYP1A1, CYP1B1 CDK4 167/4885CCND1 124/4885CCNB2 199/4885

“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.