SCHEMBL828039

SCHEMBL828039

ClCCCCc1cccc2ncccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.51
TBXAS1 P24557 1/20 0.51
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 3/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CHRM1 P11229 8/20 0.45
GLS O94925 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.42
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.39
NPBWR1 P48145 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
BLM P54132 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL15155439 0.95 CYP19A1 (0.53) CYP19A1TBXAS1MAPTKDM4ELMNA
SCHEMBL5500729 0.89 CYP19A1 (0.54) CYP19A1TBXAS1MAPTKDM4ELMNA
SCHEMBL4242510 0.84 TLR8 (0.50) CYP19A1TBXAS1MAPTKDM4ECHRM1
SCHEMBL5543653 0.84 CYP19A1 (0.50) CYP19A1TBXAS1MAPTKDM4ELMNA
SCHEMBL6115015 0.83 TLR8 (0.51) CYP19A1TBXAS1MAPTKDM4ELMNA
SCHEMBL6115265 0.83 TLR8 (0.51) CYP19A1TBXAS1MAPTKDM4ELMNA
SCHEMBL6115077 0.83 TLR8 (0.51) CYP19A1TBXAS1MAPTKDM4ELMNA
SCHEMBL5544068 0.83 CYP19A1 (0.49) CYP19A1TBXAS1MAPTKDM4ELMNA
SCHEMBL6114780 0.83 TLR8 (0.51) CYP19A1TBXAS1MAPTKDM4ELMNA
SCHEMBL6114918 0.83 TLR8 (0.51) CYP19A1TBXAS1MAPTKDM4ELMNA

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 12 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-7612218-B2 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2009-11-03 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
CN-1119149-C 10, 11 methanodibenzosuberane derivatives used as chemosensitizing agents SYNTEX INC (US) 2003-08-27 CN disclosed
CN-1235826-A 10, 11 methanodibenzosuberane derivatives used as chemosensitizing agents SYNTEX INC (US) 1999-11-24 CN disclosed
CN-1045204-C 10, 11-methylene dibenzosuberane derivatives, process for their preparation and their use as medicaments SYNTEX INC (US) 1999-09-22 CN disclosed
CN-1121346-A 10, 11-methylene dibenzosuberane derivatives as chemosensitizers SYNTEX A INC (US) 1996-04-24 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 (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 CYP19A1 553/4885TBXAS1 3649/4885MAPT 1364/4885
US-20120142924-A1 PRODUCTION PROCESS OF A HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST PIN4, NISCH, HLCS CYP19A1 723/4885TBXAS1 3985/4885MAPT 1253/4885
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst PIN4, IPO5, HLCS CYP19A1 553/4885TBXAS1 3649/4885MAPT 1364/4885

“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.