SCHEMBL3785397

SCHEMBL3785397

C=CC(OC(=O)C1CC=CCCC1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
MIF P14174 1/20 0.35
RECQL P46063 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 1/20 0.34
HTR1E P28566 1/20 0.34
S1PR3 Q99500 1/20 0.34
RAB9A P51151 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 2/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
BLM P54132 1/20 0.32
NPC1 O15118 1/20 0.31
TSHR P16473 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
SCHEMBL3785166 0.92 MIF (0.41) LMNAMIFRECQLALDH1A1MAPT
SCHEMBL3785861 0.88 CYP2C19 (0.35) LMNARECQLALDH1A1MAPTHTR1E
SCHEMBL3786393 0.76 MIF (0.34) MIF
SCHEMBL3784908 0.74 BLM (0.36) LMNAALDH1A1TDP1BLMTSHR
SCHEMBL3786144 0.73 MIF (0.32) MIF
SCHEMBL3789089 0.72 ALDH1A1 (0.34) LMNAALDH1A1KDM4EBLMTSHR
SCHEMBL11353061 0.70 L3MBTL1 (0.46) ALDH1A1MAPTRAB9ATDP1KDM4E
SCHEMBL2886386 0.70 CYP2C19 (0.43) LMNAALDH1A1MAPTTDP1KDM4E
SCHEMBL2886387 0.70 CYP2C19 (0.43) LMNAALDH1A1TDP1L3MBTL1HPGD
SCHEMBL30877929 0.68 POLB (0.57) ALDH1A1MAPTRAB9ATDP1KDM4E

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 LMNA 4639/4885MIF 1324/4885RECQL 2244/4885

“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.