SCHEMBL781373

SCHEMBL781373

CC1(C)c2ccccc2-c2cc3c(cc21)[nH]c1ccc(-c2ccccc2)cc13

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.39
CCND1 P24385 2/20 0.39
GABRA1 P14867 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRA6 Q16445 2/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PDK2 Q15119 1/20 0.37
JAK2 O60674 1/20 0.36
PGR P06401 1/20 0.36
NPC1 O15118 1/20 0.36
ALK Q9UM73 3/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
WEE1 P30291 2/20 0.34
AXL P30530 1/20 0.34
AHR P35869 1/20 0.34

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
SCHEMBL17280981 0.96 PGR (0.38) CDK4CCND1GABRA1GABRG2GABRB3
SCHEMBL14979109 0.95 CDK4 (0.39) CDK4CCND1GABRA1GABRG2GABRB3
SCHEMBL22106242 0.92 PDK2 (0.41) CDK4CCND1GABRA1GABRG2GABRB3
SCHEMBL17177968 0.91 CDK4 (0.34) CDK4CCND1GABRA1GABRG2GABRB3
SCHEMBL14880906 0.91 PGR (0.38) CDK4CCND1GABRA1GABRG2GABRB3
SCHEMBL18647304 0.90 CDK4 (0.33) CDK4CCND1GABRA1GABRG2GABRB3
SCHEMBL782627 0.90 ALK (0.34) CDK4CCND1GABRA1GABRG2GABRB3
SCHEMBL29202837 0.88 ALK (0.34) CDK4CCND1GABRA1GABRG2GABRB3
SCHEMBL802821 0.87 PGR (0.40) PDK2PGRAHR
SCHEMBL18647306 0.87 CDK4 (0.32) CDK4CCND1GABRA1GABRG2GABRB3

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023094412-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-06-01 WO disclosed
US-20230159434-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-05-25 US disclosed
WO-2023072976-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-05-04 WO disclosed
EP-3679024-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2022-11-02 EP disclosed
EP-3679023-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2022-11-02 EP disclosed
EP-3978491-A1 NITROGEN-CONTAINING HETEROCYCLES FOR USE IN OLEDS Merck Patent GmbH (DE) 2022-04-06 EP disclosed
WO-2020085793-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2020-04-30 WO disclosed
US-20200066994-A1 NITROGEN-CONTAINING HETEROCYCLES FOR USE IN OLEDS MERCK PATENT GMBH (DE) 2020-02-27 US disclosed
EP-3069392-B1 COMPOUND WITH NOVEL SIX-MEMBERED RING STRUCTURE FOR USE IN ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-08-07 EP disclosed
US-10374167-B2 Compound with novel six-membered ring structure for use in organic electronic devices MERCK PATENT GMBH (DE) 2019-08-06 US disclosed
US-9126970-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-09-08 US disclosed
US-9126970-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-09-08 US disclosed
US-20140364625-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM & HAAS ELECT MAT (KR) 2014-12-11 US disclosed
US-20140225046-A1 CARBAZOLE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2014-08-14 US disclosed
WO-2013041176-A1 CARBAZOLE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2013-03-28 WO disclosed
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 US disclosed
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 US disclosed
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 US disclosed
WO-2010136109-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-12-02 WO disclosed
WO-2010136109-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-12-02 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 (4 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-20200066994-A1 NITROGEN-CONTAINING HETEROCYCLES FOR USE IN OLEDS CYCS, OCIAD2, OCIAD1 CDK4 1068/4885CCND1 79/4885GABRA1 4121/4885
US-10374167-B2 Compound with novel six-membered ring structure for use in organic electronic devices OCIAD2, OCIAD1, NR1D2 CDK4 3035/4885CCND1 89/4885GABRA1 3476/4885
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 CDK4 1711/4885CCND1 2730/4885GABRA1 2427/4885
US-20230159434-A1 MATERIALS FOR ELECTRONIC DEVICES OCIAD2, AOC2, OCIAD1 CDK4 3242/4885CCND1 604/4885GABRA1 3754/4885

“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.