SCHEMBL22013015

SCHEMBL22013015

Brc1ccc2c(c1)c1c3c(ccc4[nH]c5ccccc5c43)ccc1n2-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 1/20 0.45
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
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39

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
SCHEMBL24172330 0.87 L3MBTL1 (0.46) L3MBTL1ALDH1A1CDK4CCND1GABRP
SCHEMBL29642039 0.82 L3MBTL1 (0.52) L3MBTL1ALDH1A1CDK4CCND1GABRP
SCHEMBL17254120 0.82 L3MBTL1 (0.52) L3MBTL1ALDH1A1CDK4CCND1GABRP
SCHEMBL22011591 0.82 CDK4 (0.55) RXFP1ALDH1A1CDK4CCND1CCNB2
SCHEMBL19784805 0.81 CDK4 (0.46) L3MBTL1ALDH1A1CDK4CCND1CCNB2
SCHEMBL13466230 0.80 PDE7A (0.47) RXFP1L3MBTL1ALDH1A1CDK4CCND1
SCHEMBL21711022 0.79 L3MBTL1 (0.55) RXFP1L3MBTL1ALDH1A1ATMKDM4E
SCHEMBL29546492 0.78 L3MBTL1 (0.46) RXFP1L3MBTL1ALDH1A1ATMKDM4E
SCHEMBL795985 0.78 L3MBTL1 (0.46) RXFP1L3MBTL1ALDH1A1ATMKDM4E
SCHEMBL19573583 0.78 CDK4 (0.43) RXFP1L3MBTL1ALDH1A1CDK4CCND1

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 RXFP1 897/4885L3MBTL1 2301/4885ALDH1A1 1119/4885
US-12035625-B2 Materials for organic electroluminescent devices ZYX, RER1, AOC2 RXFP1 897/4885L3MBTL1 2301/4885ALDH1A1 1119/4885

“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.