SCHEMBL23771655

SCHEMBL23771655

C[S+]([O-])c1cccc2[nH]c3cccc(-c4ccccc4)c3c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 6/20 0.46
▸ CCND1 P24385 6/20 0.46
▸ PLK4 O00444 1/20 0.41
▸ MAPK9 P45984 1/20 0.41
▸ LIMK1 P53667 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ AKT3 Q9Y243 1/20 0.41
▸ METAP2 P50579 1/20 0.35
▸ PARP1 P09874 2/20 0.33
▸ PDCD1 Q15116 2/20 0.33
▸ CD274 Q9NZQ7 2/20 0.33
▸ CCNB2 O95067 1/20 0.33
▸ CCNE2 O96020 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CCNB3 Q8WWL7 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL30174980 0.81 CDK4 (0.60) CDK4CCND1PLK4MAPK9LIMK1
SCHEMBL21765723 0.81 CDK4 (0.60) CDK4CCND1PLK4MAPK9LIMK1
SCHEMBL19429151 0.75 PTGS2 (0.41) PDCD1CD274HPGDMAPK1SMN1; SMN2
SCHEMBL10014625 0.75 IMPDH2 (0.45) CDK4CCND1PARP1HPGDHTT
SCHEMBL28061206 0.73 PTGS2 (0.36) PLK4MAPK9LIMK1CLK4AKT3
SCHEMBL19257380 0.72 CDK4 (0.35) CDK4CCND1HPGDMAPK1
SCHEMBL23771654 0.71 CDK4 (0.48) CDK4CCND1PLK4MAPK9LIMK1
SCHEMBL1177888 0.71 IMPDH2 (0.55) CDK4CCND1PLK4MAPK9LIMK1
SCHEMBL31664385 0.71 IMPDH2 (0.55) CDK4CCND1PLK4MAPK9LIMK1
SCHEMBL23039562 0.70 CDK4 (0.61) CDK4CCND1PLK4MAPK9LIMK1

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-20210257555-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2021-08-19 — — 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-20210257555-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ELAVL1, OR10J3, VAPA CDK4 2031/4885CCND1 2047/4885PLK4 3730/4885

“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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