SCHEMBL23974453

SCHEMBL23974453

CC(C)c1cccc(CC(C)(C)C)n1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.34
ADORA2A P29274 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
MEN1 O00255 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
KMT2A Q03164 1/20 0.32
ADRB1 P08588 1/20 0.30
TRPV3 Q8NET8 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
CHRNA7 P36544 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
SCHEMBL20207664 0.81 CYP1A2 (0.36) ADORA2AIRAK4NOS1NOS2
SCHEMBL22751134 0.81 IRAK4 (0.33) CCR4IRAK4
SCHEMBL2476938 0.81 KCNH2 (0.41) CCR4MEN1OPRM1OPRD1KMT2A
SCHEMBL31481285 0.78 KCNH2 (0.36) ADORA2ANOS1NOS2CHRNA7
SCHEMBL1581851 0.78 KCNH2 (0.36) ADORA2ANOS1NOS2CHRNA7
SCHEMBL1912681 0.78 MEN1 (0.47) CCR4MEN1OPRM1OPRD1KMT2A
SCHEMBL21100036 0.77 GABRA1 (0.35) CCR4TRPV3NOS1NOS2
SCHEMBL17658978 0.77 KCNH2 (0.34) ADORA2AIRAK4TRPV3
SCHEMBL4051420 0.76 CCR1 (0.40) ADORA2ANOS1NOS2CHRNA7
SCHEMBL19363978 0.76 ADORA2A (0.34) ADORA2ANOS1NOS2CHRNA7

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-20210340140-A1 DEGRADATION OF CYCLIN-DEPENDENT KINASE 4/6 (CDK4/6) BY CONJUGATION OF CDK4/6 INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-11-04 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-20210340140-A1 DEGRADATION OF CYCLIN-DEPENDENT KINASE 4/6 (CDK4/6) BY CONJUGATION OF CDK4/6 INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE CDK6, CDK4, CDKL4 CCR4 2631/4885ADORA2A 3639/4885IRAK4 558/4885

“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.