SCHEMBL393227

SCHEMBL393227

COC(=O)CCc1ccc(NC(C)=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
AOC3 Q16853 1/20 0.51
HTT P42858 2/20 0.50
TSHR P16473 2/20 0.50
CYP2C9 P11712 1/20 0.50
IDO1 P14902 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 1/20 0.49
MEN1 O00255 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CA12 O43570 1/20 0.48
BRD4 O60885 1/20 0.48
NR1I2 O75469 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48

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
SCHEMBL6535275 0.90 EPHX2 (0.57) EPHX2SMN1; SMN2AOC3HTTTSHR
SCHEMBL7393195 0.86 EPHX2 (0.56) EPHX2HTTCYP2C9IDO1KMT2A
SCHEMBL6984766 0.85 CYP4F2 (0.64) SMN1; SMN2AOC3HTTCYP2C9KMT2A
SCHEMBL22922181 0.85 CYP4F2 (0.59) EPHX2HTTTSHRIDO1KMT2A
SCHEMBL14717782 0.84 EPHX2 (0.56) EPHX2HTTTSHRIDO1KMT2A
SCHEMBL10750700 0.84 ALDH1A1 (0.57) SMN1; SMN2AOC3HTTTSHRCYP2C9
SCHEMBL12510584 0.84 SMN1; SMN2 (0.53) EPHX2SMN1; SMN2AOC3HTTL3MBTL1
SCHEMBL29622962 0.83 AOC3 (0.67) SMN1; SMN2AOC3HTTTSHRL3MBTL1
SCHEMBL29622963 0.83 AOC3 (0.67) SMN1; SMN2AOC3HTTTSHRL3MBTL1
SCHEMBL11803965 0.82 AOC3 (0.54) SMN1; SMN2AOC3HTTTSHRCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112824421-A Chiral phosphine-phosphoramidite ligand and preparation method and application thereof 中国科学院大连化学物理研究所 2021-05-21 CN disclosed
EP-1606268-B1 5,10-DIHYDRO-11H-DIBENZO[B,E][1,4]DIAZEPIN-11-ONE AS KINASE INHIBITORS ABBVIE INC (US) 2015-05-20 EP disclosed
US-8475984-B1 Image holding member for image forming apparatus, process cartridge, and image forming apparatus FUJI XEROX CO., LTD. (JP) 2013-07-02 US disclosed
US-20130164662-A1 IMAGE HOLDING MEMBER FOR IMAGE FORMING APPARATUS, PROCESS CARTRIDGE, AND IMAGE FORMING APPARATUS FUJI XEROX CO., LTD. (JP) 2013-06-27 US disclosed
US-8445900-B2 Organic eletroluminescent element including polyester electronic material and display device including the same FUJI XEROX CO., LTD. (JP) 2013-05-21 US disclosed
US-20130043461-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND DISPLAY MEDIUM FUJI XEROX CO., LTD. (JP) 2013-02-21 US disclosed
US-20130032789-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND DISPLAY MEDIUM FUJI XEROX CO., LTD. (JP) 2013-02-07 US disclosed
US-8264140-B2 Organic electroluminescence element and display device FUJI XEROX CO., LTD. (JP) 2012-09-11 US disclosed
US-8102113-B2 Quinoxaline-containing compounds and polymers thereof FUJI XEROX CO., LTD. (JP) 2012-01-24 US disclosed
US-8102113-B2 Quinoxaline-containing compounds and polymers thereof FUJI XEROX CO., LTD. (JP) 2012-01-24 US disclosed
US-20080306239-A1 QUINOXALINE-CONTAINING COMPOUNDS AND POLYMERS THEREOF FUJI XEROX CO., LTD. (JP) 2008-12-11 US disclosed
CN-101318940-A Quinoxaline-containing compounds and polymers thereof FUJI XEROX CO LTD (JP) 2008-12-10 CN disclosed
US-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 US disclosed
US-20070252519-A1 Novel thiophene-containing compound and thiophene-containing compound polymer, organic electroluminescent device, production method thereof, and image display medium FUJI XEROX CO., LTD. (JP) 2007-11-01 US disclosed
US-20070252519-A1 Novel thiophene-containing compound and thiophene-containing compound polymer, organic electroluminescent device, production method thereof, and image display medium FUJI XEROX CO., LTD. (JP) 2007-11-01 US disclosed
US-7153980-B2 Thiophene-containing compound and thiophene-containing compound polymer FUJI XEROX CO., LTD. (JP) 2006-12-26 US disclosed
US-20050059730-A1 Thiophene-containing compound and thiophene-containing compound polymer FUJIFILM BUSINESS INNOVATION CORP. (JP) 2005-03-17 US disclosed
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 US disclosed
EP-0604800-A1 4- 4- 4-(carboxyalkyl)-phenyl amino carbonyl -phenyl -piperedines as aggregation inhibitors Dr. Karl Thomae GmbH (DE) 1994-07-06 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 (5 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-20040254159-A1 Heterocyclic kinase inhibitors MAP3K20, MAP3K19, MAP3K1 EPHX2 2654/4885SMN1; SMN2 3469/4885AOC3 3772/4885
US-20080306239-A1 QUINOXALINE-CONTAINING COMPOUNDS AND POLYMERS THEREOF ARL1, NMRAL1, PDXK EPHX2 4102/4885SMN1; SMN2 3205/4885AOC3 1054/4885
US-20050059730-A1 Thiophene-containing compound and thiophene-containing compound polymer SLCO4C1, SLCO2A1, SLCO2B1 EPHX2 1712/4885SMN1; SMN2 3960/4885AOC3 1171/4885
US-20070252519-A1 Novel thiophene-containing compound and thiophene-containing compound polymer, organic electroluminescent device, production method thereof, and image display medium ARL1, NOD1, NLRP1 EPHX2 2733/4885SMN1; SMN2 3896/4885AOC3 427/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 EPHX2 2464/4885SMN1; SMN2 3562/4885AOC3 3808/4885

“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.