SCHEMBL3794014

SCHEMBL3794014

C=CCOC(=O)C1CCCC2OC2C1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.31
EPHX2 P34913 2/20 0.30
PPM1B O75688 1/20 0.30
PTPN1 P18031 1/20 0.30
PPP1CC P36873 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP19A1 P11511 1/20 0.30
CASP1 P29466 1/20 0.30

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
SCHEMBL942869 0.90 KMT2A (0.37) ALDH1A1GAAKMT2APPM1BPTPN1
SCHEMBL3785892 0.89 CYP3A4 (0.34) ALDH1A1GAAKMT2AEPHX2PPM1B
SCHEMBL1218797 0.87 ALDH1A1 (0.39) ALDH1A1GAAKMT2AMEN1EPHX2
SCHEMBL7133197 0.83 ALDH1A1 (0.41) ALDH1A1GAAKMT2ACYP3A4CASP1
SCHEMBL14684887 0.81 ALDH1A1 (0.35) ALDH1A1GAAKMT2AMEN1CYP3A4
SCHEMBL1218799 0.81 ANPEP (0.36) ALDH1A1GAAKMT2AEPHX2CYP3A4
SCHEMBL3789382 0.80 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1
SCHEMBL1060953 0.80 TSHR (0.39) ALDH1A1GAAEPHX2PPM1BPTPN1
SCHEMBL6350238 0.79 ALDH1A1 (0.44) ALDH1A1GAAKMT2ACYP3A4CASP1
SCHEMBL3291388 0.79 ALDH1A1 (0.35) ALDH1A1GAAKMT2AMEN1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696366-B2 Production process of bifunctional epoxy monomer by selective oxidation of diolefin compound SHOWA DENKO K.K. (JP) 2010-04-13 US disclosed
EP-1891031-B1 PRODUCTION PROCESS OF BIFUNCTIONAL EPOXY MONOMER BY SELECTIVE OXIDATION OF DIOLEFIN COMPOUND SHOWA DENKO KK (JP) 2009-03-11 EP disclosed
US-20090030217-A1 PRODUCTION PROCESS OF BIFUNCTIONAL EPOXY MONOMER BY SELECTIVE OXIDATION OF DIOLEFIN COMPOUND SHOWA DENKO K.K. (JP) 2009-01-29 US disclosed
EP-1891031-A2 PRODUCTION PROCESS OF BIFUNCTIONAL EPOXY MONOMER BY SELECTIVE OXIDATION OF DIOLEFIN COMPOUND Showa Denko K.K. (JP) 2008-02-27 EP disclosed
WO-2006123814-A2 PRODUCTION PROCESS OF BIFUNCTIONAL EPOXY MONOMER BY SELECTIVE OXIDATION OF DIOLEFIN COMPOUND SHOWA DENKO K.K. (JP) 2006-11-23 WO 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-20090030217-A1 PRODUCTION PROCESS OF BIFUNCTIONAL EPOXY MONOMER BY SELECTIVE OXIDATION OF DIOLEFIN COMPOUND DUOX2, DUOX1, DDT ALDH1A1 747/4885GAA 3922/4885KMT2A 2075/4885

“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.