SCHEMBL3780920

SCHEMBL3780920

C=CCOC(=O)C1CC=CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
TP53 P04637 2/20 0.34
GAA P10253 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RECQL P46063 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL472089 0.88 MIF (0.43) TSHRPOLBMAPK1CYP3A4ALDH1A1
SCHEMBL3784429 0.85 TSHR (0.40) TSHRPOLBMAPK1CYP3A4ALDH1A1
SCHEMBL472107 0.84 TSHR (0.59) TSHRPOLBMAPK1CYP3A4ALDH1A1
SCHEMBL719931 0.81
SCHEMBL423892 0.81 KMT2A (0.47) TSHRPOLBMAPK1CYP3A4ALDH1A1
SCHEMBL1326021 0.81 CYP3A4 (0.39) TSHRPOLBMAPK1CYP3A4ALDH1A1
SCHEMBL4200786 0.78 TSHR (0.42) TSHRPOLBMAPK1CYP3A4ALDH1A1
SCHEMBL7174184 0.78 POLB (0.54) TSHRPOLBMAPK1CYP3A4ALDH1A1
SCHEMBL4200780 0.78 TSHR (0.42) TSHRPOLBMAPK1CYP3A4ALDH1A1
SCHEMBL6350238 0.78 ALDH1A1 (0.44) TSHRPOLBMAPK1CYP3A4ALDH1A1

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
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
EP-0329932-B1 Use of quinolizine and quinolizinone derivatives in the manufacture of medicaments MERRELL DOW PHARMA (US) 1995-10-18 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-20090030217-A1 PRODUCTION PROCESS OF BIFUNCTIONAL EPOXY MONOMER BY SELECTIVE OXIDATION OF DIOLEFIN COMPOUND DUOX2, DUOX1, DDT TSHR 4623/4885POLB 1588/4885MAPK1 1292/4885

“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.