SCHEMBL3785863

SCHEMBL3785863

O=C(OC=CCc1ccccc1)C1CC=CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.41
TOP1 P11387 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
ARG2 P78540 1/20 0.38
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 2/20 0.33
USP2 O75604 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 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
SCHEMBL472140 0.90 MIF (0.41) MAOBTOP1CA1CA2ARG2
SCHEMBL3785400 0.88 ALDH1A1 (0.36) MAOBTOP1CA1CA2ARG2
SCHEMBL3784914 0.82 MAOB (0.39) MAOBTOP1CA1CA2ARG2
SCHEMBL3789092 0.78 LMNA (0.36) MAOBTOP1HSD17B10GAAALDH1A1
SCHEMBL14775423 0.77 MAOB (0.54) MAOBTOP1CA1CA2ARG2
SCHEMBL3784349 0.74 ALDH1A1 (0.32) ALDH1A1KMT2AMAPT
SCHEMBL4254918 0.74 MAOB (0.50) MAOBTOP1CA1CA2ARG2
SCHEMBL3359392 0.74 MAOB (0.50) MAOBTOP1CA1CA2ARG2
SCHEMBL3359398 0.74 MAOB (0.50) MAOBTOP1CA1CA2ARG2
SCHEMBL6551301 0.72 TDP1 (0.50) MAOBTOP1CA1CA2ARG2

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 MAOB 290/4885TOP1 4466/4885CA1 2928/4885

“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.