SCHEMBL14183545

SCHEMBL14183545

CC(C1CCC2OC2(C)C1)C1CCC2OC2(C)C1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.33
ALDH1A1 P00352 1/20 0.32
FTH1 P02794 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL8776958 0.87 CYP3A4 (0.33) CYP3A4ALDH1A1FTH1CYP2C9CYP2C19
SCHEMBL642106 0.83 CYP3A4 (0.33) CYP3A4ALDH1A1FTH1CYP2C9CYP2C19
SCHEMBL14183400 0.83 CYP3A4 (0.32) CYP3A4ALDH1A1
SCHEMBL12744539 0.80 CYP3A4 (0.30) CYP3A4
SCHEMBL14183437 0.79
SCHEMBL14183471 0.79
SCHEMBL14183402 0.78 CYP3A4 (0.33) CYP3A4ALDH1A1
SCHEMBL14183547 0.78 CYP3A4 (0.31) CYP3A4
SCHEMBL14394565 0.78
SCHEMBL14213953 0.78

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-20080107821-A1 Polymerizable Actinic Radiation Curable Composition, Polymerization Method, Actinic Radiation Curable Ink and Image Formation Method, and Ink Jet Recording Apparatus and Epoxy Compound KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-05-08 US disclosed
US-20080107821-A1 Polymerizable Actinic Radiation Curable Composition, Polymerization Method, Actinic Radiation Curable Ink and Image Formation Method, and Ink Jet Recording Apparatus and Epoxy Compound KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-05-08 US disclosed
EP-1840148-A1 POLYMERIZABLE ACTINIC RADIATION CURABLE COMPOSITION, POLYMERIZATION METHOD, ACTINIC RADIATION CURABLE INK AND IMAGE FORMATION METHOD, AND INK JET RECORDING APPARATUS AND EPOXY COMPOUND Konica Minolta Medical & Graphic, Inc. (JP) 2007-10-03 EP 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-20080107821-A1 Polymerizable Actinic Radiation Curable Composition, Polymerization Method, Actinic Radiation Curable Ink and Image Formation Method, and Ink Jet Recording Apparatus and Epoxy Compound CBR3, CBR1, CNR1 CYP3A4 3054/4885ALDH1A1 3110/4885FTH1 3270/4885

“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.