SCHEMBL826339

SCHEMBL826339

CCCCc1ccc(C(C)C)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.43
EPAS1 Q99814 4/20 0.43
GPR84 Q9NQS5 9/20 0.41
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
DAO P14920 1/20 0.35
KMT2A Q03164 1/20 0.33
CTSV O60911 1/20 0.32
CTSL P07711 1/20 0.32
HCAR3 P49019 1/20 0.32
HCAR2 Q8TDS4 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
SCHEMBL22734765 0.92 HIF1A (0.53) HIF1AEPAS1GPR84MAPTHTT
SCHEMBL499037 0.82 HIF1A (0.36) HIF1AEPAS1MAPTHTTDAO
SCHEMBL891270 0.80 HIF1A (0.53) HIF1AEPAS1GPR84MAPTHTT
SCHEMBL17156498 0.76 HIF1A (0.60) HIF1AEPAS1GPR84MAPTHTT
SCHEMBL17156494 0.76 HIF1A (0.50) HIF1AEPAS1GPR84MAPTHTT
SCHEMBL11385980 0.74 MAPT (0.40) HIF1AEPAS1GPR84MAPTHTT
SCHEMBL490816 0.73 HIF1A (0.62) HIF1AEPAS1GPR84MAPTHTT
SCHEMBL15533783 0.72 HIF1A (0.47) HIF1AEPAS1GPR84MAPTHTT
SCHEMBL891349 0.72 HIF1A (0.66) HIF1AEPAS1GPR84MAPTHTT
SCHEMBL17156491 0.72 HIF1A (0.66) HIF1AEPAS1GPR84MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104903337-B Ruthenium complex and its manufacturing method and production method containing ruthenium film 东曹株式会社 2018-07-24 CN disclosed
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

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 HIF1A 3217/4885EPAS1 4238/4885GPR84 2397/4885
US-20120142924-A1 PRODUCTION PROCESS OF A HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST PIN4, NISCH, HLCS HIF1A 3375/4885EPAS1 4434/4885GPR84 2053/4885
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst PIN4, IPO5, HLCS HIF1A 3217/4885EPAS1 4238/4885GPR84 2397/4885

“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.