SCHEMBL22011591

SCHEMBL22011591

Brc1ccc2[nH]c3ccc4ccc5[nH]c6ccccc6c5c4c3c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.55
CCND1 P24385 4/20 0.55
CCNB2 O95067 3/20 0.55
CDK1 P06493 3/20 0.55
CCNB1 P14635 3/20 0.55
CCNB3 Q8WWL7 3/20 0.55
CCNE2 O96020 2/20 0.55
CCNE1 P24864 2/20 0.55
CDK2 P24941 2/20 0.55
GABRP O00591 2/20 0.54
GABRD O14764 2/20 0.54
GABRA1 P14867 2/20 0.54
GABRB1 P18505 2/20 0.54
GABRG2 P18507 2/20 0.54
GABRB3 P28472 2/20 0.54
GABRA5 P31644 2/20 0.54
GABRA3 P34903 2/20 0.54
GABRA2 P47869 2/20 0.54
GABRB2 P47870 2/20 0.54
GABRA4 P48169 2/20 0.54

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
SCHEMBL16536029 0.88 CDK4 (0.66) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL22013016 0.86 CDK4 (0.59) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL10044741 0.85 CDK4 (0.53) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL16536115 0.83 CDK4 (0.55) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL27014751 0.82 AR (0.43) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL22013015 0.82 RXFP1 (0.45) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL17023948 0.81 CDK4 (0.54) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL17023957 0.81 CDK4 (0.54) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL22012033 0.81 AHR (0.57) CDK4CCND1GABRPGABRDGABRA1
SCHEMBL17841968 0.81 CDK4 (0.49) CDK4CCND1CCNB2CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12035625-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2024-07-09 US disclosed
US-12035625-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2024-07-09 US disclosed
EP-3880682-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-06-14 EP disclosed
US-20220006030-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-01-06 US disclosed
WO-2020099307-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-05-22 WO 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-20220006030-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES ZYX, RER1, AOC2 CDK4 3427/4885CCND1 2318/4885CCNB2 1989/4885
US-12035625-B2 Materials for organic electroluminescent devices ZYX, RER1, AOC2 CDK4 3427/4885CCND1 2318/4885CCNB2 1989/4885

“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.