SCHEMBL17816666

SCHEMBL17816666

CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc4-c4ccccc43)cc21

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.33
MEN1 O00255 1/20 0.30
APAF1 O14727 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
XBP1 P17861 1/20 0.30
PTBP1 P26599 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
GALK1 P51570 1/20 0.30
BLM P54132 1/20 0.30
SMAD3 P84022 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL24647008 1.00 PDK2 (0.33) PDK2MEN1APAF1NPC1LMNA
SCHEMBL15213632 1.00 PDK2 (0.33) PDK2MEN1APAF1NPC1LMNA
SCHEMBL15213995 1.00 PDK2 (0.33) PDK2MEN1APAF1NPC1LMNA
SCHEMBL24255800 1.00 PDK2 (0.33) PDK2MEN1APAF1NPC1LMNA
SCHEMBL30308714 1.00 PDK2 (0.33) PDK2MEN1APAF1NPC1LMNA
SCHEMBL16810739 0.99 PDK2 (0.33) PDK2
SCHEMBL14681503 0.99 PDK2 (0.33) PDK2
SCHEMBL21922869 0.99 PDK2 (0.34) PDK2
SCHEMBL21558996 0.99 PDK2 (0.33) PDK2
SCHEMBL21922862 0.99 PDK2 (0.34) PDK2

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
EP-3227269-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-02-26 EP disclosed
US-10573818-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2020-02-25 US disclosed
US-10431751-B2 Compound and organic electronic device comprising the same SHANGHAI NICHEM FINE CHEMICAL CO., LTD. (CN) 2019-10-01 US disclosed
US-20170317283-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-11-02 US disclosed
US-20170317283-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-11-02 US disclosed
US-20170213970-A1 Novel compound and organic electronic device comprising the same SHANGHAI NICHEM FINE CHEMICAL CO., LTD. (CN) 2017-07-27 US disclosed
US-20170213970-A1 Novel compound and organic electronic device comprising the same SHANGHAI NICHEM FINE CHEMICAL CO., LTD. (CN) 2017-07-27 US disclosed
WO-2016087017-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-06-09 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-10431751-B2 Compound and organic electronic device comprising the same CHRM1, CHRM2, ESR1 PDK2 2514/4885MEN1 305/4885APAF1 3170/4885
US-20170213970-A1 Novel compound and organic electronic device comprising the same CHRM1, CHRM2, ESR1 PDK2 2806/4885MEN1 251/4885APAF1 3066/4885
US-20170317283-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES PIEZO1, LEF1, EFNA1 PDK2 893/4885MEN1 472/4885APAF1 3146/4885
US-10573818-B2 Materials for organic electroluminescent devices PIEZO1, LEF1, EFNA1 PDK2 893/4885MEN1 472/4885APAF1 3146/4885

“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.