SCHEMBL828208

SCHEMBL828208

CCCCOc1ccc2sccc2c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.49
CA12 O43570 6/20 0.49
MRGPRX4 Q96LA9 2/20 0.47
CYP2A6 P11509 1/20 0.43
CA1 P00915 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
LTA4H P09960 1/20 0.41
AHR P35869 1/20 0.41

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
SCHEMBL3164463 0.95 NR5A1 (0.47) CA2CA12MRGPRX4LTA4H
SCHEMBL3800027 0.93 CA2 (0.49) CA2CA12MRGPRX4CYP2A6CA1
SCHEMBL3794336 0.86 MRGPRX4 (0.47) CA2CA12MRGPRX4CA1CA3
SCHEMBL3793751 0.86 CA2 (0.51) CA2CA12MRGPRX4CYP2A6CA1
SCHEMBL6468074 0.84 KDM4E (0.50) CA2CA12MRGPRX4
SCHEMBL5564792 0.83 MRGPRX4 (0.50) CA2CA12MRGPRX4CYP2A6CA1
SCHEMBL2988516 0.83 MRGPRX4 (0.47) CA2CA12MRGPRX4CYP2A6
SCHEMBL3797078 0.79 MRGPRX4 (0.47) CA2CA12MRGPRX4CA1CA3
SCHEMBL19809314 0.79 CA12 (0.59) CA2CA12CA1CA3CA4
SCHEMBL29779708 0.79 CA12 (0.59) CA2CA12CA1CA3CA4

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 11 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-7645400-B2 Composition containing carbon nanotubes having a coating MITSUBISHI RAYON CO., LTD. (JP) 2010-01-12 US disclosed
US-20090321688-A1 Carbon Nanotube Composition, Composite Having a Coated Film Composed of the Same, and Their Production Methods MITSUBISHI RAYON CO., LTD. (JP) 2009-12-31 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-20060052509-A1 Composition containing carbon nanotubes having coating thereof and process for producing them MITSUBISHI RAYON CO., LTD. (JP) 2006-03-09 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 CA2 2716/4885CA12 3195/4885MRGPRX4 3723/4885
US-20120142924-A1 PRODUCTION PROCESS OF A HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST PIN4, NISCH, HLCS CA2 2540/4885CA12 2808/4885MRGPRX4 3435/4885
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst PIN4, IPO5, HLCS CA2 2716/4885CA12 3195/4885MRGPRX4 3723/4885

“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.