SCHEMBL827337

SCHEMBL827337

CCCCc1ccc(C(C)C)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.55
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
EPHX2 P34913 1/20 0.37
TLR8 Q9NR97 2/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
CTRC Q99895 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 2/20 0.33
ALOX15 P16050 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL24972582 0.87 ALOX5 (0.42) ALOX5CHRM2CHRM4CHRM5CHRM1
SCHEMBL4985201 0.85 ALOX5 (0.53) ALOX5CHRM2CHRM4CHRM5CHRM1
SCHEMBL4312689 0.82 ALOX5 (0.47) ALOX5CHRM2CHRM4CHRM5CHRM1
SCHEMBL12417825 0.82 ALOX5 (0.40) ALOX5
SCHEMBL20763971 0.82 ALOX5 (0.50) ALOX5CHRM2CHRM4CHRM5CHRM1
SCHEMBL18884318 0.79 ALOX5 (0.51) ALOX5CHRM2CHRM4CHRM5CHRM1
SCHEMBL9967682 0.78 CHRM2 (0.37) ALOX5CHRM2CHRM4CHRM5CHRM1
SCHEMBL20746437 0.77 ALOX5 (0.47) ALOX5CHRM2CHRM4CHRM5CHRM1
SCHEMBL12394760 0.77 ALOX5 (0.35) ALOX5MAPTKDM4E
SCHEMBL18885944 0.76 ALOX5 (0.49) ALOX5CHRM2CHRM4CHRM5CHRM1

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 ALOX5 2390/4885CHRM2 3185/4885CHRM4 2154/4885
US-20120142924-A1 PRODUCTION PROCESS OF A HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST PIN4, NISCH, HLCS ALOX5 2409/4885CHRM2 3890/4885CHRM4 2816/4885
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst PIN4, IPO5, HLCS ALOX5 2390/4885CHRM2 3185/4885CHRM4 2154/4885

“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.