SCHEMBL827370

SCHEMBL827370

CCOc1cccc2occc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.59
CYP2A6 P11509 2/20 0.58
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
HTR2B P41595 1/20 0.47
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
PABPC1 P11940 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAOB P27338 2/20 0.39
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.38
TRPA1 O75762 1/20 0.38
MAOA P21397 1/20 0.37
FTO Q9C0B1 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL3797704 0.86 KCNA3 (0.65) KCNA3CYP2A6HTR2AHTR2CHTR2B
SCHEMBL3794876 0.84 KCNA3 (0.68) KCNA3CYP2A6HTR2AHTR2CALDH1A1
SCHEMBL11498084 0.83 KCNA3 (0.70) KCNA3CYP2A6HTR2AHTR2CHTR2B
SCHEMBL29679112 0.82 KCNA3 (0.56) KCNA3CYP2A6HTR2AHTR2CHTR2B
SCHEMBL28792214 0.82 KCNA3 (0.56) KCNA3CYP2A6HTR2AHTR2CHTR2B
SCHEMBL5221044 0.79 KCNA3 (0.65) KCNA3CYP2A6HTR2AHTR2CHTR2B
SCHEMBL29761716 0.79 CYP2A6 (0.55) KCNA3CYP2A6HTR2AHTR2CHTR2B
SCHEMBL827270 0.79 CYP2A6 (0.55) KCNA3CYP2A6HTR2AHTR2CHTR2B
SCHEMBL3372411 0.77 MAOB (0.64) KCNA3MAPTTDP1MAOBLMNA
SCHEMBL10924687 0.77 KCNA3 (0.54) KCNA3CYP2A6KDM4ETDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507680-B2 Production process of a heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2013-08-13 US disclosed
US-20120142924-A1 PRODUCTION PROCESS OF A HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO., LTD. (JP) 2012-06-07 US disclosed
US-8143407-B2 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2012-03-27 US disclosed
EP-1481978-B1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO (JP) 2011-09-14 EP disclosed
US-20100010224-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO., LTD. (JP) 2010-01-14 US disclosed
US-7645400-B2 Composition containing carbon nanotubes having a coating MITSUBISHI RAYON CO., LTD. (JP) 2010-01-12 US disclosed
US-20090321688-A1 Carbon Nanotube Composition, Composite Having a Coated Film Composed of the Same, and Their Production Methods MITSUBISHI RAYON CO., LTD. (JP) 2009-12-31 US disclosed
US-7612218-B2 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2009-11-03 US disclosed
US-20060052509-A1 Composition containing carbon nanotubes having coating thereof and process for producing them MITSUBISHI RAYON CO., LTD. (JP) 2006-03-09 US disclosed
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2005-07-07 US disclosed
EP-1481978-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST Mitsubishi Rayon Co., Ltd. (JP) 2004-12-01 EP 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-20100010224-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST PIN4, IPO5, HLCS KCNA3 2211/4885CYP2A6 405/4885HTR2A 4628/4885
US-20120142924-A1 PRODUCTION PROCESS OF A HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST PIN4, NISCH, HLCS KCNA3 3049/4885CYP2A6 560/4885HTR2A 4365/4885
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst PIN4, IPO5, HLCS KCNA3 2211/4885CYP2A6 405/4885HTR2A 4628/4885

“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.