SCHEMBL20829115

SCHEMBL20829115

CC1(C)OB(c2sccc2Nc2ccc(C#N)cc2)OC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ MERTK Q12866 1/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ MAPKAPK2 P49137 1/20 0.32
▸ VCP P55072 2/20 0.32
▸ ABCB1 P08183 1/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ BACE2 Q9Y5Z0 1/20 0.31
▸ GSK3B P49841 2/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ LPL P06858 1/20 0.31
▸ LIPG Q9Y5X9 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31

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
SCHEMBL20829113 0.78 PDE7A (0.37) RXFP1KDM4EALDH1A1GAAESR2
SCHEMBL20829075 0.76 KDM4E (0.38) MERTKABCB1ABCG2KDM4EALDH1A1
SCHEMBL2659269 0.72 LPL (0.37) ESR2LPLLIPG
SCHEMBL20829118 0.69 MERTK (0.44) POLBRXFP1MERTKDHODHMAPKAPK2
SCHEMBL476909 0.68 LPL (0.53) ALDH1A1ESR2LPLLIPGCA12
SCHEMBL1851608 0.65 LPL (0.41) ESR2LPLLIPGCA12CA1
SCHEMBL793512 0.65 LPL (0.41) ESR2LPLLIPGCA12CA1
SCHEMBL22652888 0.64 LIPG (0.62) ESR2LPLLIPGCA12CA1
SCHEMBL15496904 0.64 LIPG (0.62) ESR2LPLLIPGCA12CA1
SCHEMBL15301292 0.64 LIPG (0.62) ESR2LPLLIPGCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11370965-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2022-06-28 — — US disclosed
EP-3681890-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-08-18 — — EP disclosed
US-20200291291-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-09-17 — — US disclosed
WO-2019052933-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-03-21 — — 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-20200291291-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES TST, MT-ND5, MT-ND4L POLB 471/4885RXFP1 4797/4885MERTK 3975/4885
US-11370965-B2 Materials for organic electroluminescent devices TST, MT-ND5, MT-ND4L POLB 471/4885RXFP1 4797/4885MERTK 3975/4885

“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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