SCHEMBL1906154

SCHEMBL1906154

CC(C)(C)c1ccc(-c2nccc3ccccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
CYP3A4 P08684 2/20 0.47
MAPT P10636 2/20 0.47
CYP2C19 P33261 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
ATM Q13315 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
GPR55 Q9Y2T6 1/20 0.47
TSHR P16473 1/20 0.46
GLA P06280 1/20 0.46

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
SCHEMBL3262254 0.98 KDM4E (0.50) KDM4EALDH1A1KMT2ANPC1RAB9A
SCHEMBL11976483 0.98 KDM4E (0.50) KDM4EALDH1A1KMT2ANPC1RAB9A
SCHEMBL11976494 0.88 KDM4E (0.43) KDM4EALDH1A1KMT2ANPC1RAB9A
SCHEMBL17343158 0.88 CYP3A4 (0.47) KDM4EALDH1A1KMT2ANPC1RAB9A
SCHEMBL12909803 0.87 CYP3A4 (0.55) KDM4EALDH1A1KMT2ANPC1RAB9A
SCHEMBL11976499 0.87 KDM4E (0.43) KDM4EALDH1A1KMT2ANPC1RAB9A
SCHEMBL12112873 0.86 MAPT (0.58) KDM4EALDH1A1KMT2ANPC1RAB9A
SCHEMBL31400244 0.85 KDM4E (0.45) KDM4EALDH1A1KMT2ANPC1RAB9A
SCHEMBL17350140 0.85 KDM4E (0.45) KDM4EALDH1A1KMT2ANPC1RAB9A
SCHEMBL11976502 0.85 ABCG2 (0.41) KDM4EALDH1A1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10844086-B2 Method for producing halogen-crosslinked iridium dimer NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2020-11-24 US disclosed
US-20190211041-A1 METHOD FOR PRODUCING HALOGEN-CROSSLINKED IRIDIUM DIMER NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2019-07-11 US disclosed
CN-108484499-A The method that multi-substituted isoquinoline derivative is prepared by azanol and alkynes 清华大学 2018-09-04 CN disclosed
US-20180022990-A1 COMPOSITION AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-25 US disclosed
US-20180022990-A1 COMPOSITION AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-25 US disclosed
EP-3235891-A1 COMPOSITION AND LIGHT-EMITTING ELEMENT USING SAME Sumitomo Chemical Company, Ltd. (JP) 2017-10-25 EP disclosed
EP-2034000-B1 Electroluminescent iridium compounds having red-orange or red emission and devices made with such compounds DU PONT (US) 2015-05-06 EP disclosed
EP-2492276-B1 METAL COMPLEX, POLYMER, AND ELEMENT OBTAINED USING SAME SUMITOMO CHEMICAL CO (JP) 2014-10-08 EP disclosed
EP-2492276-A1 METAL COMPLEX, POLYMER, AND ELEMENT OBTAINED USING SAME Sumitomo Chemical Company, Limited (JP) 2012-08-29 EP disclosed
US-20120205585-A1 METAL COMPLEX, POLYMER COMPOUND AND DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-16 US disclosed
US-7090929-B2 Metallic complexes covalently bound to conjugated polymers and electronic devices containing such compositions E.I. DU PONT DE NEMOURS AND COMPANY (US) 2006-08-15 US disclosed
CN-1781925-A Luminescence device and display apparatus CANON KK (JP) 2006-06-07 CN disclosed
CN-1705730-A Electroluminescent iridium compounds having red-orange or red emission and devices made with such compounds DU PONT (US) 2005-12-07 CN disclosed
CN-1671818-A Metallic complexes covalently bound to conjugated polymers and electronic devices containing such compositions DU PONT (US) 2005-09-21 CN disclosed
EP-1554361-A1 METALLIC COMPLEXES COVALENTLY BOUND TO CONJUGATED POLYMERS AND ELECTRONIC DEVICES CONTAINING SUCH COMPOSITIONS E. I. du Pont de Nemours and Company (US) 2005-07-20 EP disclosed
EP-1442094-A2 ELECTROLUMINESCENT IRIDIUM COMPOUNDS HAVING RED-ORANGE OR RED EMISSION AND DEVICES MADE WITH SUCH COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-08-04 EP disclosed
US-20040072018-A1 Metallic complexes covalently bound to conjugated polymers and electronic devices containing such compositions LG CHEM, LTD. (KR) 2004-04-15 US disclosed
WO-2004015025-A1 METALLIC COMPLEXES COVALENTLY BOUND TO CONJUGATED POLYMERS AND ELECTRONIC DEVICES CONTAINING SUCH COMPOSITIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2004-02-19 WO disclosed
US-20030096138-A1 Electroluminescent iridium compounds having red-orange or red emission and devices made with such compounds LG CHEM, LTD. (KR) 2003-05-22 US disclosed
WO-2003040256-A2 ELECTROLUMINESCENT IRIDIUM COMPOUNDS HAVING RED-ORANGE OR RED EMISSION AND DEVICES MADE WITH SUCH COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-05-15 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 (3 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-20190211041-A1 METHOD FOR PRODUCING HALOGEN-CROSSLINKED IRIDIUM DIMER MACF1, PPIP5K2, F2 KDM4E 3741/4885ALDH1A1 2758/4885KMT2A 3882/4885
US-10844086-B2 Method for producing halogen-crosslinked iridium dimer CYBA, CYBB, PPIB KDM4E 3371/4885ALDH1A1 3343/4885KMT2A 3205/4885
US-20120205585-A1 METAL COMPLEX, POLYMER COMPOUND AND DEVICE USING THE SAME HDAC10, EMG1, PRMT1 KDM4E 1254/4885ALDH1A1 3085/4885KMT2A 420/4885

“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.