Sugi Predict

Sugi Predict / Compounds / SCHEMBL17080388

SCHEMBL17080388

SCHEMBL17080388

CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccc5ccccc5c34)cc21

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.32
▸ CHRNA1 P02708 1/20 0.31
▸ CHRNG P07510 1/20 0.31
▸ CHRNB1 P11230 1/20 0.31
▸ CHRNB2 P17787 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ CHRNB4 P30926 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ CHRND Q07001 1/20 0.31
▸ MCL1 Q07820 1/20 0.30
▸ ACMSD Q8TDX5 1/20 0.30
▸ CA12 O43570 2/20 0.30
▸ CA1 P00915 2/20 0.30
▸ CA2 P00918 2/20 0.30
▸ CA9 Q16790 2/20 0.30
▸ CRHR1 P34998 1/20 0.30
▸ SLC6A9 P48067 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
SCHEMBL20435101 1.00 PDK2 (0.32) PDK2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL30450031 1.00 PDK2 (0.32) PDK2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL24655699 0.97 PDK2 (0.31) PDK2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL20435199 0.94 PDK2 (0.33) PDK2
SCHEMBL20435200 0.94 PDK2 (0.33) PDK2
SCHEMBL17081264 0.94 PDK2 (0.30) PDK2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL17081207 0.93 PDK2 (0.34) PDK2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL17081188 0.92 CHRNA1 (0.31) PDK2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL20435188 0.92 PDK2 (0.33) PDK2
SCHEMBL18383237 0.91 CRHR1 (0.31) PDK2CHRNA1CHRNGCHRNB1CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230225197-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2023-07-13 — — US disclosed
US-20230225197-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2023-07-13 — — US disclosed
US-20210376240-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2021-12-02 — — US disclosed
US-20200303649-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-09-24 — — US disclosed
US-20200303649-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-09-24 — — US disclosed
US-10727413-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2020-07-28 — — US disclosed
US-10396297-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2019-08-27 — — US disclosed
US-20180219157-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENTS, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-08-02 — — US disclosed
US-20180219157-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENTS, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-08-02 — — US disclosed
EP-3114102-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-12-06 — — EP disclosed
EP-3114102-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-12-06 — — EP disclosed
US-20170331053-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-11-16 — — US disclosed
US-20170331053-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-11-16 — — US disclosed
US-20170018710-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-01-19 — — US disclosed
US-20170018710-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-01-19 — — US disclosed
EP-3114102-A1 MATERIALS FOR ELECTRONIC DEVICES Merck Patent GmbH (DE) 2017-01-11 — — EP disclosed
WO-2015131976-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-09-11 — — WO disclosed
WO-2015131976-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-09-11 — — 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 (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-10396297-B2 Materials for electronic devices DDT, PNMT, COMT PDK2 413/4885CHRNA1 1084/4885CHRNG 1008/4885
US-20170331053-A1 MATERIALS FOR ELECTRONIC DEVICES DDT, PNMT, COMT PDK2 413/4885CHRNA1 1084/4885CHRNG 1008/4885
US-10727413-B2 Materials for electronic devices EED, OCIAD2, JUND PDK2 2123/4885CHRNA1 1787/4885CHRNG 2152/4885
US-20210376240-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME OR10J3, VDAC2, L1CAM PDK2 930/4885CHRNA1 1148/4885CHRNG 447/4885
US-20200303649-A1 MATERIALS FOR ELECTRONIC DEVICES EED, OCIAD2, JUND PDK2 2123/4885CHRNA1 1787/4885CHRNG 2152/4885
US-20170018710-A1 MATERIALS FOR ELECTRONIC DEVICES EED, OCIAD2, JUND PDK2 2123/4885CHRNA1 1787/4885CHRNG 2152/4885
US-20180219157-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENTS, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE L1CAM, LEF1, PIEZO1 PDK2 1913/4885CHRNA1 1155/4885CHRNG 2919/4885

“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.