SCHEMBL827147

SCHEMBL827147

CCOc1ccc2c(C)cccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.44
ELANE P08246 2/20 0.43
RAB9A P51151 1/20 0.43
ADORA2A P29274 2/20 0.42
NCF1 P14598 5/20 0.40
CYBB P04839 2/20 0.40
MAPK8 P45983 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
RAD52 P43351 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KRAS P01116 1/20 0.38
SOS1 Q07889 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
SCHEMBL27259421 0.85 RAB9A (0.49) RAB9AL3MBTL1LMNAKDM4EPOLB
SCHEMBL5213941 0.83 NCF1 (0.41) NCF1CYBBL3MBTL1LMNAMAPT
SCHEMBL5217396 0.82 NCF1 (0.41) NCF1CYBBL3MBTL1LMNAMAPT
SCHEMBL4816736 0.81 ALDH1A1 (0.46) ADORA1ELANERAB9AADORA2ANCF1
SCHEMBL827877 0.80 LMNA (0.49) ELANERAB9ANCF1L3MBTL1LMNA
SCHEMBL8273082 0.79 L3MBTL1 (0.56) ELANERAB9AL3MBTL1LMNACYP1A2
SCHEMBL2525163 0.77 MAPK8 (0.56) ADORA1ELANERAB9AADORA2AMAPK8
SCHEMBL4824153 0.75 ALDH1A1 (0.60) RAB9AMAPK8L3MBTL1LMNAPOLB
Hydrogen Peroxide SCHEMBL28177611 0.75 MAPT (0.53) ADORA1RAB9ALMNACYP1A2KDM4E
SCHEMBL887723 0.74 MAPT (0.56) RAB9ANCF1LMNACYP1A2KDM4E

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 8 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

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 ADORA1 1991/4885ELANE 4494/4885RAB9A 1373/4885
US-20120142924-A1 PRODUCTION PROCESS OF A HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST PIN4, NISCH, HLCS ADORA1 1947/4885ELANE 4297/4885RAB9A 1020/4885
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst PIN4, IPO5, HLCS ADORA1 1991/4885ELANE 4494/4885RAB9A 1373/4885

“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.