SCHEMBL20829075

SCHEMBL20829075

CC1(C)OB(c2ccccc2Nc2ccc(C#N)cc2)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ ABCG2 Q9UNQ0 11/20 0.38
▸ ABCB1 P08183 6/20 0.38
▸ GSK3B P49841 1/20 0.35
▸ ACP1 P24666 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ SLC22A12 Q96S37 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ ABCC1 P33527 1/20 0.33
▸ LPL P06858 1/20 0.33
▸ LIPG Q9Y5X9 1/20 0.33
▸ MERTK Q12866 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
SCHEMBL20829056 0.84 LPL (0.43) KDM4EALDH1A1GAAEGFRMAPT
SCHEMBL22434030 0.82 KDM4E (0.34) KDM4EALDH1A1GAAABCG2ABCB1
SCHEMBL20829077 0.81 LIPG (0.54) KDM4EGAAKDRMAPTLPL
SCHEMBL20829489 0.80 ABCG2 (0.35) KDM4EALDH1A1GAAABCG2ABCB1
SCHEMBL20829080 0.79 LIPE (0.40) ALDH1A1ABCG2LPLLIPG
SCHEMBL30544066 0.78 LIPE (0.52) KDM4EALDH1A1GAAMAPT
SCHEMBL20552809 0.78 LIPE (0.52) KDM4EALDH1A1GAAMAPT
SCHEMBL20829086 0.77 MAPT (0.36) KDM4EALDH1A1GAAEGFRMAPT
SCHEMBL20829115 0.76 POLB (0.34) KDM4EALDH1A1GAAABCG2ABCB1
SCHEMBL20829073 0.75 LPL (0.36) KDM4EALDH1A1GAAEGFRMAPT

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 KDM4E 2142/4885ALDH1A1 1208/4885GAA 3319/4885
US-11370965-B2 Materials for organic electroluminescent devices TST, MT-ND5, MT-ND4L KDM4E 2142/4885ALDH1A1 1208/4885GAA 3319/4885

“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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