SCHEMBL12705146

SCHEMBL12705146

O=C1CCC(COC(=O)C(F)F)O1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
GRM2 Q14416 6/20 0.32
PRKCA P17252 3/20 0.32
TP53 P04637 1/20 0.31
CYP3A4 P08684 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
SCHEMBL24326021 0.83 CYP1A2 (0.42) CYP1A2CA1CA9PRKCATP53
SCHEMBL26360493 0.79 CYP1A2 (0.45) CYP1A2CA1CA9PRKCATP53
SCHEMBL13267002 0.76 CYP1A2 (0.43) CYP1A2CA1CA9PRKCA
SCHEMBL686098 0.76 CYP1A2 (0.40) CYP1A2CA1CA9GRM2PRKCA
SCHEMBL6721695 0.75 CYP1A2 (0.38) CYP1A2CA1CA9TP53CYP3A4
SCHEMBL9694969 0.75 CYP1A2 (0.41) CYP1A2CA1CA9PRKCA
SCHEMBL10172891 0.75 RECQL (0.36) CYP1A2PRKCA
SCHEMBL445031 0.74 ALDH1A1 (0.58) CYP1A2CA1CA9PRKCATP53
SCHEMBL26356325 0.74 CYP1A2 (0.41) CYP1A2CA1CA9PRKCA
SCHEMBL686466 0.74 CYP1A2 (0.35) CYP1A2

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-20110091808-A1 PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-21 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-20110091808-A1 PHOTORESIST COMPOSITION ASIC1, ASIC3, SUN2 CYP1A2 3633/4885CA1 597/4885CA9 693/4885

“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.