Oxirane

Oxirane

SCHEMBL827148

C1CO1.Cc1cccc2ncccc12

nearest known ligand 0.49

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
MAPT P10636 1/20 0.48
POLB P06746 1/20 0.46
CYP1A2 P05177 2/20 0.43
CYP2A6 P11509 1/20 0.43
CYP1B1 Q16678 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PSMD14 O00487 1/20 0.41
COPS5 Q92905 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39

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
SCHEMBL129944 0.90 MAPT (0.58) KDM4EMAPTPOLBCYP1A2CYP2A6
SCHEMBL852352 0.88 MAPT (0.56) KDM4EMAPTPOLBCYP1A2CYP2A6
SCHEMBL27598199 0.88 MAPT (0.56) KDM4EMAPTPOLBCYP1A2CYP2A6
Hydrogen Sulfide SCHEMBL27577867 0.88 MAPT (0.56) KDM4EMAPTPOLBCYP1A2CYP2A6
Hydrogen Sulfide SCHEMBL27503867 0.86 MAPT (0.54) KDM4EMAPTPOLBCYP1A2CYP2A6
Hydrogen Sulfide SCHEMBL27489153 0.86 MAPT (0.54) KDM4EMAPTPOLBCYP1A2CYP2A6
Hydrogen Sulfide SCHEMBL27488502 0.86 MAPT (0.54) KDM4EMAPTPOLBCYP1A2CYP2A6
Hydrogen Sulfide SCHEMBL27561977 0.86 MAPT (0.54) KDM4EMAPTPOLBCYP1A2CYP2A6
SCHEMBL31559 0.76 NCF1 (0.56) KDM4EMAPTCYP1A2CYP2A6PSMD14
SCHEMBL29578471 0.76 NCF1 (0.56) KDM4EMAPTCYP1A2CYP2A6PSMD14

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 KDM4E 2745/4885MAPT 1364/4885POLB 1849/4885
US-20120142924-A1 PRODUCTION PROCESS OF A HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST PIN4, NISCH, HLCS KDM4E 3652/4885MAPT 1253/4885POLB 1320/4885
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst PIN4, IPO5, HLCS KDM4E 2745/4885MAPT 1364/4885POLB 1849/4885

“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.