SCHEMBL24251310

SCHEMBL24251310

c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4cccc(-c5ccccc5)c4)c4ccc5ccc6c(N(c7ccc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)cc7)c7cccc(-c8ccccc8)c7)ccc7ccc4c5c76)cc3)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.35
CCND1 P24385 2/20 0.35
ESR1 P03372 3/20 0.33
ESR2 Q92731 3/20 0.33
CYP1A2 P05177 3/20 0.33
ACMSD Q8TDX5 1/20 0.33
BACE1 P56817 1/20 0.33
FGFR1 P11362 1/20 0.33
ERBB2 P04626 1/20 0.33
FYN P06241 1/20 0.33
MAOA P21397 1/20 0.33
ACHE P22303 1/20 0.33
AHR P35869 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HSD17B1 P14061 1/20 0.32
CYP2B6 P20813 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B2 P37059 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
SCHEMBL24251341 1.00 CDK4 (0.35) CDK4CCND1ESR1ESR2CYP1A2
SCHEMBL24251331 1.00 CDK4 (0.35) CDK4CCND1ESR1ESR2CYP1A2
SCHEMBL24251340 1.00 CDK4 (0.35) CDK4CCND1ESR1ESR2CYP1A2
SCHEMBL24251309 1.00 CDK4 (0.35) CDK4CCND1ESR1ESR2CYP1A2
SCHEMBL24251316 1.00 CDK4 (0.35) CDK4CCND1ESR1ESR2CYP1A2
SCHEMBL24251332 1.00 CDK4 (0.35) CDK4CCND1ESR1ESR2CYP1A2
SCHEMBL24251343 0.99 CDK4 (0.34) CDK4CCND1ESR1ESR2CYP1A2
SCHEMBL24251304 0.99 CDK4 (0.35) CDK4CCND1ESR1ESR2CYP1A2
SCHEMBL24251342 0.99 CDK4 (0.35) CDK4CCND1ESR1ESR2CYP1A2
SCHEMBL24251303 0.99 CDK4 (0.35) CDK4CCND1ESR1ESR2CYP1A2

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-20220052263-A1 AMINE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD., (KR) 2022-02-17 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-20220052263-A1 AMINE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME AOC2, ODC1, AOC1 CDK4 2021/4885CCND1 498/4885ESR1 204/4885

“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.