SCHEMBL827318

SCHEMBL827318

CCOc1ccc2ccoc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.60
CA1 P00915 3/20 0.60
CA6 P23280 3/20 0.60
CA7 P43166 3/20 0.60
CA9 Q16790 3/20 0.60
CA14 Q9ULX7 3/20 0.60
CA5B Q9Y2D0 3/20 0.60
CA4 P22748 2/20 0.60
CA5A P35218 2/20 0.60
CYP1A2 P05177 2/20 0.60
MRGPRX4 Q96LA9 1/20 0.49
GLA P06280 1/20 0.47
NQO1 P15559 1/20 0.46
CA2 P00918 3/20 0.45
CA3 P07451 1/20 0.45
HTR1B P28222 4/20 0.43
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL1602196 0.86 CA12 (0.62) CA12CA1CA6CA7CA9
SCHEMBL3794160 0.86 CA12 (0.62) CA12CA1CA6CA7CA9
SCHEMBL3791638 0.85 CA2 (0.51) CA12CA1CA6CA7CA9
SCHEMBL28614915 0.80 CA12 (0.56) CA12CA1CA6CA7CA9
SCHEMBL7928201 0.80 CA12 (0.52) CA12CA1CA6CA7CA9
SCHEMBL29002643 0.79 CA12 (0.62) CA12CA1CA6CA7CA9
SCHEMBL30506048 0.79 CA12 (0.62) CA12CA1CA6CA7CA9
SCHEMBL14359475 0.79 KCNA3 (0.48) CA12CA1CA6CA7CA9
SCHEMBL3793638 0.79 KDM4E (0.58) CA12CA1CA6CA7CA9
SCHEMBL24599933 0.77 CYP2C9 (0.47) CA12CA1CA6CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113354607-B Negative liquid crystal compound, liquid crystal composition, liquid crystal display element and liquid crystal display 石家庄诚志永华显示材料有限公司 2023-12-05 CN disclosed
CN-113354607-A Negative liquid crystal compound, liquid crystal composition, liquid crystal display element and liquid crystal display 石家庄诚志永华显示材料有限公司 2021-09-07 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-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 CA12 3195/4885CA1 4662/4885CA6 1133/4885
US-20120142924-A1 PRODUCTION PROCESS OF A HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST PIN4, NISCH, HLCS CA12 2808/4885CA1 4605/4885CA6 1081/4885
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst PIN4, IPO5, HLCS CA12 3195/4885CA1 4662/4885CA6 1133/4885

“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.