SCHEMBL3785166

SCHEMBL3785166

C=CC(OC(=O)C1CC=CCC1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.41
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
ESR2 Q92731 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
BLM P54132 1/20 0.33
AKR1C3 P42330 1/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 3/20 0.32
CYP2C19 P33261 1/20 0.31
HTR1E P28566 1/20 0.31
S1PR3 Q99500 1/20 0.31
RECQL P46063 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
SCHEMBL3785397 0.92 LMNA (0.36) MIFRAB9ATDP1ALDH1A1MAPT
SCHEMBL3785861 0.90 CYP2C19 (0.35) ALDH1A1MAPTKMT2AHSD17B10SMN1; SMN2
SCHEMBL3784908 0.76 BLM (0.36) TDP1ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL3792322 0.75 MIF (0.41) MIFRAB9ATDP1ALDH1A1MAPT
SCHEMBL3789089 0.74 ALDH1A1 (0.34) ALDH1A1HSD17B10BLMAKR1C3LMNA
SCHEMBL11353061 0.72 L3MBTL1 (0.46) RAB9ATDP1ALDH1A1MAPTMEN1
SCHEMBL2886387 0.71 CYP2C19 (0.43) TDP1ALDH1A1KMT2AESR2LMNA
SCHEMBL2886386 0.71 CYP2C19 (0.43) TDP1ALDH1A1MAPTALOX15KMT2A
SCHEMBL3785890 0.71 MIF (0.39) MIFTDP1ALDH1A1MAPTMEN1
SCHEMBL472074 0.71 ELANE (0.51) MIFRAB9ATDP1ALDH1A1MAPT

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 MIF 1324/4885RAB9A 4289/4885TDP1 4138/4885

“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.