SCHEMBL8737442

SCHEMBL8737442

Cc1ccc(Oc2cccc3ccccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.49
HTR2A P28223 2/20 0.49
CARM1 Q86X55 1/20 0.48
PRMT6 Q96LA8 1/20 0.48
LMNA P02545 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MITF O75030 1/20 0.48
POLB P06746 1/20 0.48
HTT P42858 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HPGD P15428 1/20 0.46
SLC6A2 P23975 1/20 0.46
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 2/20 0.45
CYP2A6 P11509 1/20 0.43
KCNA3 P22001 1/20 0.43

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
SCHEMBL257604 0.92 HTT (0.45) SLC6A4HTR2ACARM1PRMT6LMNA
SCHEMBL2078871 0.90 L3MBTL1 (0.54) SLC6A4CARM1PRMT6LMNAMEN1
SCHEMBL6013084 0.85 L3MBTL1 (0.55) SLC6A4CARM1PRMT6LMNAMEN1
SCHEMBL29148791 0.84 L3MBTL1 (0.50) CARM1PRMT6LMNAMEN1KMT2A
SCHEMBL28489683 0.84 HTR2A (0.45) SLC6A4HTR2ACARM1PRMT6LMNA
SCHEMBL29860318 0.84 KCNA3 (0.58) CARM1PRMT6LMNAMEN1KMT2A
SCHEMBL441860 0.84 KCNA3 (0.58) CARM1PRMT6LMNAMEN1KMT2A
Water SCHEMBL27705785 0.82 KCNA3 (0.56) CARM1PRMT6LMNAMEN1KMT2A
SCHEMBL2354199 0.81 ALDH1A1 (0.62) SLC6A4LMNAKMT2AL3MBTL1HTT
SCHEMBL2608310 0.81 HTT (0.65) SLC6A4HTR2ALMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3326715-B1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE CE PHARM CO LTD (CN) 2021-09-15 EP disclosed
US-20180207628-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2018-07-26 US disclosed
US-20180207628-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2018-07-26 US disclosed
EP-3326715-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2018-05-30 EP disclosed
WO-2017012379-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE 中国科学院上海有机化学研究所 2017-01-26 WO disclosed
US-20160304485-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-10-20 US disclosed
US-9394303-B2 Small molecule inhibitors of MCL-1 and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-07-19 US disclosed
US-9296738-B2 Organic electroluminescent material, the process for preparing the same and OLED device using the same EVERDISPLAY OPTRONICS (SHANGHAI) LIMITED (CN) 2016-03-29 US disclosed
US-9296738-B2 Organic electroluminescent material, the process for preparing the same and OLED device using the same EVERDISPLAY OPTRONICS (SHANGHAI) LIMITED (CN) 2016-03-29 US disclosed
US-20150284387-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-08 US disclosed
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 US disclosed
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 US disclosed
US-20090143594-A1 PROCESS FOR THE CATALYTIC SYNTHESIS OF DIARYL ETHERS SALTIGO GMBH (DE) 2009-06-04 US disclosed
US-20090143594-A1 PROCESS FOR THE CATALYTIC SYNTHESIS OF DIARYL ETHERS SALTIGO GMBH (DE) 2009-06-04 US disclosed
EP-2065356-A1 Improved process for the catalytic synthesis of diaryl ethers Saltigo GmbH (DE) 2009-06-03 EP disclosed
EP-2065357-A1 Improved process for the catalytic synthesis of diaryl ethers Saltigo GmbH (DE) 2009-06-03 EP disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 US disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 US disclosed
CN-1766678-A Phase aberration film production method and phase aberration film produced by the method,polarization sheet using same and liquid crystal display KONICA MINOLTA OPTO INC (JP) 2006-05-03 CN 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-20150284387-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF MCL1, BCL2L1, API5 SLC6A4 4672/4885HTR2A 4242/4885CARM1 2741/4885
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 SLC6A4 4720/4885HTR2A 4148/4885CARM1 1784/4885
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF SLC6A4 4429/4885HTR2A 4713/4885CARM1 935/4885
US-20090143594-A1 PROCESS FOR THE CATALYTIC SYNTHESIS OF DIARYL ETHERS ARSA, AHR, AOC2 SLC6A4 3498/4885HTR2A 1531/4885CARM1 418/4885
US-20160304485-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF MCL1, BCL2L1, BCL2L11 SLC6A4 4763/4885HTR2A 4501/4885CARM1 2598/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF SLC6A4 4429/4885HTR2A 4713/4885CARM1 935/4885
US-20180207628-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE AOC2, AOC1, AOC3 SLC6A4 3856/4885HTR2A 3875/4885CARM1 4299/4885

“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.