SCHEMBL23027220

SCHEMBL23027220

c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3cccc4c3[nH]c3ccccc34)c3ccccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.50
KIF11 P52732 4/20 0.47
PARP14 Q460N5 4/20 0.41
CDK4 P11802 3/20 0.40
CCND1 P24385 3/20 0.40
CCNB2 O95067 1/20 0.40
CCNE2 O96020 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
HTR2B P41595 2/20 0.39
HTR5A P47898 2/20 0.39
GSK3B P49841 1/20 0.39
ADK P55263 1/20 0.39
TDO2 P48775 4/20 0.39
IDO1 P14902 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38

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
SCHEMBL28066197 0.90 BCHE (0.56) BCHEKIF11PARP14CDK4CCND1
SCHEMBL5808357 0.88 KIF11 (0.47) BCHEKIF11PARP14CDK4CCND1
SCHEMBL26239933 0.88 BCHE (0.46) BCHEKIF11CDK4CCND1CCNB2
SCHEMBL28636334 0.87 BCHE (0.59) BCHEKIF11PARP14GSK3BADK
SCHEMBL20334721 0.85 BCHE (0.55) BCHEKIF11PARP14HTR2BHTR5A
SCHEMBL26365672 0.85 BCHE (0.44) BCHEKIF11CDK4CCND1CCNB2
SCHEMBL16067812 0.84 KIF11 (0.60) BCHEKIF11PARP14CDK4CCND1
SCHEMBL16067550 0.84 KIF11 (0.53) BCHEKIF11CDK4CCND1CCNB2
SCHEMBL15492053 0.84 ESR1 (0.50) BCHEKIF11PARP14HTR2BHTR5A
SCHEMBL16067982 0.83 KIF11 (0.51) BCHEKIF11CDK4CCND1CCNB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11365167-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2022-06-21 US disclosed
EP-3792235-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2021-03-17 EP disclosed
US-20210053894-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-02-25 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 (2 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-20210053894-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, EFNA1, EPCAM BCHE 1556/4885KIF11 2414/4885PARP14 3445/4885
US-11365167-B2 Materials for organic electroluminescent devices L1CAM, EFNA1, EPCAM BCHE 1556/4885KIF11 2414/4885PARP14 3445/4885

“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.