SCHEMBL864461

SCHEMBL864461

O=C1CCC(CCCO)O1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.62
PPARG P37231 2/20 0.40
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
PRKCA P17252 4/20 0.33

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
SCHEMBL864366 0.94 CYP1A2 (0.66) CYP1A2PPARGCA1CA9PRKCA
SCHEMBL864202 0.92 CYP1A2 (0.69) CYP1A2PPARGCA1CA9PRKCA
SCHEMBL863720 0.92 CYP1A2 (0.69) CYP1A2PPARGCA1CA9PRKCA
SCHEMBL863394 0.92 CYP1A2 (0.69) CYP1A2PPARGCA1CA9PRKCA
SCHEMBL864299 0.92 CYP1A2 (0.69) CYP1A2PPARGCA1CA9PRKCA
SCHEMBL21231825 0.91 CYP1A2 (0.54) CYP1A2PPARGCA1CA9
SCHEMBL864534 0.90 CYP1A2 (0.51) CYP1A2PPARGCA1CA9
SCHEMBL863604 0.88
SCHEMBL18227564 0.88
SCHEMBL864228 0.85 CYP1A2 (0.54) CYP1A2PPARGCA1CA9PRKCA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077126-A1 Fluorine-Containing Compound, Fluorine-Containing Polymer Compound, Resist Composition, Top Coat Composition And Pattern Formation Method CENTRAL GLASS COMPANY, LIMITED (JP) 2012-03-29 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-20120077126-A1 Fluorine-Containing Compound, Fluorine-Containing Polymer Compound, Resist Composition, Top Coat Composition And Pattern Formation Method FRG1, AFF2, FBXL19 CYP1A2 3947/4885PPARG 3438/4885CA1 2436/4885

“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.