SCHEMBL18015248

SCHEMBL18015248

CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPK1 P28482 1/20 0.39
IDO1 P14902 2/20 0.38
ALOX15 P16050 2/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
HDAC4 P56524 1/20 0.33
KDR P35968 5/20 0.32
FLT1 P17948 1/20 0.32
FLT4 P35916 1/20 0.32
ALOX15B O15296 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 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
SCHEMBL21131348 0.88 KDR (0.40) KDM4ENPC1RAB9AALOX15TSHR
SCHEMBL2040213 0.87 ALDH1A1 (0.49) ALOX15TSHRALDH1A1MAPK9MAPK10
SCHEMBL12076772 0.86 ALDH1A1 (0.36) KDM4ENPC1RAB9AMAPK1ALOX15
SCHEMBL22059891 0.86 ALOX15 (0.37) ALOX15TSHRALDH1A1MAPK9MAPK10
SCHEMBL21125555 0.85 ALDH1A1 (0.36) PIK3CAPIK3CBPIK3CGNPC1RAB9A
SCHEMBL16566959 0.85 KDR (0.38) PIK3CAPIK3CBPIK3CGKDM4ENPC1
SCHEMBL21647270 0.85 ALDH1A1 (0.48) ALOX15TSHRALDH1A1MAPK9MAPK10
SCHEMBL30024343 0.85 ALDH1A1 (0.48) ALOX15TSHRALDH1A1MAPK9MAPK10
SCHEMBL29373868 0.85 ALDH1A1 (0.48) ALOX15TSHRALDH1A1MAPK9MAPK10
SCHEMBL30125198 0.85 ALDH1A1 (0.48) ALOX15TSHRALDH1A1MAPK9MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-10-05 US disclosed
US-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 US disclosed
EP-3507294-B1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-02-24 EP disclosed
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices MERCK PATENT GMBH 2021-01-12 US disclosed
EP-3515925-B1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-10-21 EP disclosed
EP-3526227-B1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-06-03 EP disclosed
US-20200052213-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-02-13 US disclosed
US-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-09-26 US disclosed
EP-3254317-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-31 EP disclosed
US-20190202851-A1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-07-04 US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
CN-106995466-A Organometallic complex, light-emitting component, light-emitting device, electronic equipment and lighting device 株式会社半导体能源研究所 2017-08-01 CN disclosed
US-20170213989-A1 ORGANOMETALLIC COMPLEX, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE, AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2017-07-27 US disclosed
US-20170213989-A1 ORGANOMETALLIC COMPLEX, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE, AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2017-07-27 US disclosed
US-20170213989-A1 ORGANOMETALLIC COMPLEX, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE, AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2017-07-27 US disclosed
WO-2016124304-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-08-11 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 (8 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-20190202851-A1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES PARN, PUF60, PARG PIK3CA 3118/4885PIK3CB 2359/4885PIK3CG 2294/4885
US-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES AP2M1, MCU, AP3M1 PIK3CA 4539/4885PIK3CB 3341/4885PIK3CG 3164/4885
US-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC PIK3CA 3766/4885PIK3CB 2546/4885PIK3CG 2254/4885
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices PARN, PUF60, PARG PIK3CA 3118/4885PIK3CB 2359/4885PIK3CG 2294/4885
US-20170213989-A1 ORGANOMETALLIC COMPLEX, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE, AND LIGHTING DEVICE INTS9, CRY1, IK PIK3CA 1803/4885PIK3CB 2131/4885PIK3CG 1600/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 PIK3CA 4065/4885PIK3CB 3320/4885PIK3CG 2627/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 PIK3CA 4539/4885PIK3CB 3341/4885PIK3CG 3164/4885
US-20200052213-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES BICRA, NCLN, IMMT PIK3CA 3755/4885PIK3CB 2704/4885PIK3CG 2393/4885

“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.