SCHEMBL3784429

SCHEMBL3784429

C=CCOC(=O)C1CC=CCCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
MIF P14174 1/20 0.35
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 1/20 0.34
GAA P10253 3/20 0.34
CYP3A4 P08684 1/20 0.33
TP53 P04637 1/20 0.32
CASP1 P29466 1/20 0.32
KMT2A Q03164 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 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
SCHEMBL472089 0.90 MIF (0.43) TSHRPOLBMAPK1MIFALDH1A1
SCHEMBL3780920 0.85 TSHR (0.46) TSHRPOLBMAPK1ALDH1A1GAA
SCHEMBL7133197 0.79 ALDH1A1 (0.41) TSHRPOLBMAPK1ALDH1A1GAA
SCHEMBL6350238 0.79 ALDH1A1 (0.44) TSHRPOLBMAPK1ALDH1A1GAA
SCHEMBL15443027 0.78 ALDH1A1 (0.46) ALDH1A1GAACYP3A4CASP1KMT2A
SCHEMBL15443392 0.78 ALDH1A1 (0.46) ALDH1A1GAACYP3A4CASP1KMT2A
SCHEMBL15442983 0.78 ALDH1A1 (0.46) ALDH1A1GAACYP3A4CASP1KMT2A
SCHEMBL634058 0.78 ALDH1A1 (0.46) ALDH1A1GAACYP3A4CASP1KMT2A
SCHEMBL472054 0.78 MIF (0.39) TSHRPOLBMAPK1MIFALDH1A1
SCHEMBL3786401 0.77 ALDH1A1 (0.42) TSHRPOLBMIFALDH1A1CYP3A4

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 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.