SCHEMBL476850

SCHEMBL476850

Clc1cccc2cnncc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.52
CYP2A6 P11509 4/20 0.52
NOS1 P29475 2/20 0.42
AHR P35869 1/20 0.40
NR4A2 P43354 2/20 0.38
CHEK1 O14757 1/20 0.37
LMNA P02545 3/20 0.35
KDM4E B2RXH2 3/20 0.35
CYP3A4 P08684 3/20 0.35
TP53 P04637 2/20 0.35
GOT1 P17174 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP2D6 P10635 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MPO P05164 1/20 0.35
PKM P14618 1/20 0.35
MAOA P21397 1/20 0.35
PTGS1 P23219 1/20 0.35
THPO P40225 1/20 0.35

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
SCHEMBL14599184 0.73 CYP2A6 (0.47) CYP1A2CYP2A6NOS1AHRNR4A2
SCHEMBL3805113 0.73 CYP1A2 (0.59) CYP1A2CYP2A6LMNAKDM4ECYP3A4
SCHEMBL30070982 0.73 CYP1A2 (0.59) CYP1A2CYP2A6LMNAKDM4ECYP3A4
SCHEMBL619607 0.73 CYP1A2 (0.54) CYP1A2CYP2A6NOS1AHRLMNA
SCHEMBL659473 0.71 NOS1 (0.42) CYP1A2NOS1AHRLMNAKDM4E
SCHEMBL19001494 0.71 NOS1 (0.42) CYP1A2NOS1LMNAKDM4ECYP3A4
SCHEMBL19595854 0.71 PSMD14 (0.40) CYP1A2LMNAKDM4ECYP3A4TP53
SCHEMBL659324 0.71 CYP3A4 (0.57) CYP1A2NR4A2LMNAKDM4ECYP3A4
SCHEMBL9618221 0.71 CYP2A6 (0.48) CYP1A2CYP2A6CYP3A4MAOA
SCHEMBL6122152 0.71 MAPT (0.38) CYP1A2LMNAKDM4ECYP3A4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411398-B1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND SUMITOMO CHEMICAL CO (JP) 2014-12-17 EP disclosed
US-8785651-B2 Method for manufacturing a boronic acid ester compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-07-22 US disclosed
US-20120123122-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND GENENTECH, INC. (US) 2012-05-17 US disclosed
CN-102361878-A Process for preparing boronic acid ester compounds SUMITOMO CHEMICAL CO 2012-02-22 CN disclosed
EP-2411398-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-02-01 EP disclosed
WO-2010110782-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-30 WO disclosed
US-7229753-B2 Photothermographic material and method for forming images FUJIFILM CORPORATION (JP) 2007-06-12 US disclosed
US-7229753-B2 Photothermographic material and method for forming images FUJIFILM CORPORATION (JP) 2007-06-12 US disclosed
US-20070003882-A9 Photothermographic material, and image forming method using same FUKUI KOUTA 2007-01-04 US disclosed
US-20070003882-A9 Photothermographic material, and image forming method using same FUKUI KOUTA 2007-01-04 US disclosed
US-7026104-B2 Heat-developable photosensitive material and method of forming images FUJI PHOTO FILM CO., LTD. (JP) 2006-04-11 US disclosed
US-6916599-B2 Silver halide comprises 90% by mole or more of a silver iodide and has a silver iodobromide structure having an average silver iodide content of 35% by mole or less in vicinity of a surface thereof. FUJI PHOTO FILM CO., LTD. (JP) 2005-07-12 US disclosed
US-20030224299-A1 Photothermographic material FUJI PHOTO FILM CO., LTD. 2003-12-04 US disclosed
US-20030194667-A1 Heat-developable photosensitive material and method of forming images FUJI PHOTO FILM CO., LTD. 2003-10-16 US disclosed
EP-0985674-B1 ORGANIC COMPOUNDS CONTAINING SILICON OR GERMANIUM, TRANSITION METAL COMPLEXES, CATALYST FOR ALPHA-OLEFIN POLYMERIZATION, AND PROCESSES FOR PRODUCING ALPHA-OLEFIN POLYMERS MITSUBISHI CHEM CORP (JP) 2003-04-23 EP disclosed
US-6255515-B1 COORDINATION POLYMERIZATION CATALYSTS MITSUBISHI CHEMICAL CORPORATION (JP) 2001-07-03 US disclosed
EP-0985674-A1 ORGANIC COMPOUNDS CONTAINING SILICON OR GERMANIUM, TRANSITION METAL COMPLEXES, CATALYST FOR $g(a)-OLEFIN POLYMERIZATION, AND PROCESSES FOR PRODUCING $g(a)-OLEFIN POLYMERS MITSUBISHI CHEMICAL CORPORATION (JP) 2000-03-15 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 (1 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-20120123122-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND NISCH, BRSK1, BLK CYP1A2 2457/4885CYP2A6 732/4885NOS1 2094/4885

“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.