SCHEMBL16820317

SCHEMBL16820317

CC1(C)c2ccccc2-c2cc(Nc3ccc(-c4ccccc4)c(-c4cccc(-c5ccccc5)c4)c3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 10/20 0.39
▸ APP P05067 1/20 0.34
▸ FNTA P49354 3/20 0.34
▸ FNTB P49356 3/20 0.34
▸ RARB P10826 1/20 0.33
▸ RARG P13631 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ PGGT1B P53609 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ AR P10275 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ABCB1 P08183 1/20 0.32
▸ ABCC1 P33527 1/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.32
▸ EPHX2 P34913 1/20 0.32

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
SCHEMBL19597627 0.94 PDK2 (0.41) PDK2APPFNTAFNTBRARB
SCHEMBL23561439 0.93 PDK2 (0.43) PDK2APPFNTAFNTBRARB
SCHEMBL31245655 0.92 PDK2 (0.40) PDK2APPRARBRARGRXRA
SCHEMBL24969712 0.90 PDK2 (0.42) PDK2APPRARBRARGRXRA
SCHEMBL30318845 0.89 PDK2 (0.43) PDK2APPMEN1ALDH1A1AR
SCHEMBL17194808 0.89 PDK2 (0.43) PDK2APPMEN1ALDH1A1AR
SCHEMBL24968672 0.88 EPHX2 (0.37) PDK2APPRARBRARGRXRA
SCHEMBL22001167 0.88 PDK2 (0.37) PDK2APPRARBRARGRXRA
SCHEMBL31245649 0.88 PDK2 (0.45) PDK2APPRARBRARGRXRA
SCHEMBL19797541 0.88 PDK2 (0.42) PDK2APPFNTAFNTBRARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11997922-B2 Compounds and organic electronic devices MERCK PATENT GMBH (DE) 2024-05-28 — — US disclosed
US-20230217811-A1 COMPOUNDS AND ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-07-06 — — US disclosed
US-11641775-B2 Compounds and organic electronic devices MERCK PATENT GMBH (DE) 2023-05-02 — — US disclosed
US-20210151682-A1 COMPOUNDS AND ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2021-05-20 — — US disclosed
US-10944058-B2 Compounds and organic electronic devices MERCK PATENT GMBH (DE) 2021-03-09 — — US disclosed
US-20180097178-A1 COMPOUNDS AND ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-04-05 — — US disclosed
US-9882142-B2 Compounds and organic electronic devices MERCK PATENT GMBH (DE) 2018-01-30 — — US disclosed
US-20150179940-A1 COMPOUNDS AND ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-06-25 — — 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 (7 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-10944058-B2 Compounds and organic electronic devices ETV6, CYP2C19, AFF2 PDK2 1406/4885APP 1223/4885FNTA 288/4885
US-20230217811-A1 COMPOUNDS AND ORGANIC ELECTRONIC DEVICES ETV6, CYP2C19, AFF2 PDK2 1406/4885APP 1223/4885FNTA 288/4885
US-20210151682-A1 COMPOUNDS AND ORGANIC ELECTRONIC DEVICES ETV6, CYP2C19, AFF2 PDK2 1406/4885APP 1223/4885FNTA 288/4885
US-11641775-B2 Compounds and organic electronic devices ETV6, CYP2C19, AFF2 PDK2 1406/4885APP 1223/4885FNTA 288/4885
US-20180097178-A1 COMPOUNDS AND ORGANIC ELECTRONIC DEVICES ETV6, CYP2C19, AFF2 PDK2 1406/4885APP 1223/4885FNTA 288/4885
US-20150179940-A1 COMPOUNDS AND ORGANIC ELECTRONIC DEVICES ETV6, CYP2C19, AFF2 PDK2 1406/4885APP 1223/4885FNTA 288/4885
US-11997922-B2 Compounds and organic electronic devices ETV6, CYP2C19, AFF2 PDK2 1406/4885APP 1223/4885FNTA 288/4885

“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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