SCHEMBL3784349

SCHEMBL3784349

CCC=COC(=O)C1CC=CC1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
CYP19A1 P11511 2/20 0.32
RXRA P19793 2/20 0.32
PPARG P37231 2/20 0.32
OXER1 Q8TDS5 2/20 0.32
FFAR1 O14842 1/20 0.32
MAPT P10636 1/20 0.32
PTGS1 P23219 2/20 0.31
ADORA3 P0DMS8 2/20 0.31
NR1I2 O75469 1/20 0.31
PGR P06401 1/20 0.31
PTGS2 P35354 1/20 0.31
PDE4D Q08499 1/20 0.31
F7 P08709 1/20 0.31
F3 P13726 1/20 0.31
KMT2A Q03164 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 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
SCHEMBL472153 0.89 MIF (0.41) ALDH1A1MAPTKMT2A
SCHEMBL3786395 0.86 MIF (0.34)
SCHEMBL2937429 0.82 GAA (0.34) ALDH1A1CYP19A1RXRAPPARGOXER1
SCHEMBL29161514 0.72
SCHEMBL5932891 0.71
SCHEMBL637275 0.71
SCHEMBL5932881 0.71
SCHEMBL2586974 0.70 MAPT (0.46) ALDH1A1MAPTKMT2A
SCHEMBL1598830 0.68 ALDH1A1 (0.38) ALDH1A1CYP19A1RXRAPPARGOXER1
SCHEMBL426301 0.68 TRPA1 (0.39) ALDH1A1CYP19A1RXRAPPARGOXER1

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 ALDH1A1 747/4885CYP19A1 1203/4885RXRA 2529/4885

“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.