SCHEMBL824166

SCHEMBL824166

CC1(C)OB(c2ccc(B3OC(C)(C)C(C)(C)O3)[nH]2)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPL P06858 13/20 0.44
LIPG Q9Y5X9 13/20 0.44
P2RX7 Q99572 1/20 0.38
MAPK1 P28482 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
F11 P03951 1/20 0.34
FFAR1 O14842 1/20 0.33
ESR2 Q92731 1/20 0.32

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
SCHEMBL20951809 0.87 HMBS (0.40) LPLLIPGP2RX7MAPK1CA1
SCHEMBL31601077 0.79 LIPG (0.51) LPLLIPG
SCHEMBL20397146 0.76 LPL (0.33) LPLLIPGP2RX7
SCHEMBL18530500 0.75 GAA (0.45) LPLLIPGMAPK1CA1CA2
SCHEMBL824197 0.73 LIPG (0.41) LPLLIPGP2RX7MAPK1CA1
SCHEMBL20840323 0.72 HRH1 (0.38) LPLLIPGP2RX7MAPK1FFAR1
SCHEMBL1041667 0.72 LPL (0.38) LPLLIPGP2RX7MAPK1CA1
SCHEMBL824089 0.71 LPL (0.44) LPLLIPGCA2
SCHEMBL228212 0.70 LPL (0.71) LPLLIPGCA1CA2CA9
SCHEMBL858173 0.69 ALDH1A1 (0.38) LPLLIPGP2RX7MAPK1FFAR1

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023194895-A1 PYRROL DERIVATIVES AS INHIBITORS OF APOLIPOPROTEIN L-1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-10-12 WO disclosed
WO-2023194895-A1 PYRROL DERIVATIVES AS INHIBITORS OF APOLIPOPROTEIN L-1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-10-12 WO disclosed
EP-2723750-B1 DIKETOPYRROLOPYRROLE OLIGOMERS FOR USE IN ORGANIC SEMICONDUCTOR DEVICES CLAP CO LTD (KR) 2022-08-10 EP disclosed
US-10392395-B2 Nitrogen-containing aromatic compounds and metal complexes SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-08-27 US disclosed
US-10392395-B2 Nitrogen-containing aromatic compounds and metal complexes SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-08-27 US disclosed
EP-2493890-B1 NITROGEN-CONTAINING AROMATIC COMPOUNDS AND METAL COMPLEXES SUMITOMO CHEMICAL CO (JP) 2018-03-21 EP disclosed
EP-2493890-B1 NITROGEN-CONTAINING AROMATIC COMPOUNDS AND METAL COMPLEXES SUMITOMO CHEMICAL CO (JP) 2018-03-21 EP disclosed
US-9434812-B2 Dyketopyrrolopyrrole polymers for use in organic semiconductor devices BASF SE (DE) 2016-09-06 US disclosed
US-9434812-B2 Dyketopyrrolopyrrole polymers for use in organic semiconductor devices BASF SE (DE) 2016-09-06 US disclosed
US-9362508-B2 Diketopyrrolopyrrole oligomers for use in organic semiconductor devices BASF SE (DE) 2016-06-07 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
WO-2011052805-A1 NITROGEN-CONTAINING AROMATIC COMPOUNDS AND METAL COMPLEXES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-05 WO 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-20100010224-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO., LTD. (JP) 2010-01-14 US 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-7612218-B2 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2009-11-03 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 LPL 2994/4885LIPG 4113/4885P2RX7 854/4885
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst PIN4, IPO5, HLCS LPL 2994/4885LIPG 4113/4885P2RX7 854/4885
US-10392395-B2 Nitrogen-containing aromatic compounds and metal complexes TYR, MT-CO2, SOD1 LPL 4839/4885LIPG 4604/4885P2RX7 1914/4885

“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.