SCHEMBL2956734

SCHEMBL2956734

O=C(OCCI)OC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.42
HTT P42858 1/20 0.41
CYP2C19 P33261 1/20 0.40
NAAA Q02083 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CYP19A1 P11511 4/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
MMP9 P14780 2/20 0.32
MMP12 P39900 2/20 0.32
MMP1 P03956 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
FABP7 O15540 1/20 0.31
FABP5 Q01469 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL4248940 0.86 EPHX1 (0.43) EPHX1HTTCYP2C19NAAAL3MBTL1
SCHEMBL303883 0.84 EPHX1 (0.44) EPHX1HTTCYP2C19NAAAL3MBTL1
SCHEMBL5398616 0.82 EPHX1 (0.43) EPHX1HTTCYP2C19NAAAL3MBTL1
SCHEMBL305170 0.82 EPHX1 (0.41) EPHX1HTTCYP2C19NAAAL3MBTL1
SCHEMBL6007716 0.82 EPHX1 (0.46) EPHX1HTTCYP2C19NAAAL3MBTL1
SCHEMBL8631017 0.81 NAAA (0.50) EPHX1HTTCYP2C19NAAAL3MBTL1
SCHEMBL1021168 0.81 EPHX1 (0.42) EPHX1HTTCYP2C19NAAAL3MBTL1
SCHEMBL1559459 0.81 EPHX1 (0.42) EPHX1HTTCYP2C19NAAAL3MBTL1
SCHEMBL11589171 0.81 NAAA (0.50) EPHX1HTTCYP2C19NAAAL3MBTL1
SCHEMBL1023656 0.81 EPHX1 (0.42) EPHX1HTTCYP2C19NAAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102558181-B Preparation method of carbapenems CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY SHIJIAZHUAN 2015-04-22 CN disclosed
EP-1445249-B1 NOVEL BENSOPHENONE DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO LTD (JP) 2012-11-07 EP disclosed
US-7772285-B2 Benzophenone derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2010-08-10 US disclosed
US-20050113400-A1 Inhibitors of transcription factor AP-1; autoimmune diseases; rheumatoid arthritis; high safety and excellent pharmacokinetics in vivo SHUNICHI SHIOZAWA (JP) 2005-05-26 US disclosed
EP-1445249-A1 NOVEL BENSOPHENONE DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2004-08-11 EP disclosed
EP-0128029-A2 Cephalosporin ester derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1984-12-12 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-20050113400-A1 Inhibitors of transcription factor AP-1; autoimmune diseases; rheumatoid arthritis; high safety and excellent pharmacokinetics in vivo SP1, AP1G1, JUN EPHX1 4113/4885HTT 3761/4885CYP2C19 3574/4885

“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.