SCHEMBL3785890

SCHEMBL3785890

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.39
ALDH1A1 P00352 4/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALOX15 P16050 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
ESR2 Q92731 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PKM P14618 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
SCHEMBL3786144 0.92 MIF (0.32) MIF
SCHEMBL3780487 0.90
SCHEMBL3792322 0.81 MIF (0.41) MIFALDH1A1TDP1ALOX15MEN1
SCHEMBL12251471 0.77 MIF (0.37) MIFALDH1A1TDP1KDM4EALOX15
SCHEMBL4755288 0.75 MIF (0.42) MIFALDH1A1TDP1ALOX15MEN1
SCHEMBL3786393 0.72 MIF (0.34) MIF
SCHEMBL12251472 0.72 MIF (0.40) MIFALDH1A1TDP1KDM4EALOX15
SCHEMBL13649840 0.72 MIF (0.40) MIFALDH1A1TDP1KDM4EALOX15
SCHEMBL3785681 0.72 PPM1B (0.30)
SCHEMBL1463170 0.72 MIF (0.46) MIFALDH1A1TDP1ALOX15MEN1

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 3 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

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 1324/4885ALDH1A1 747/4885TDP1 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.