SCHEMBL12650293

SCHEMBL12650293

O=C(C=C(CC(=O)OCCCCCCOC(F)(F)F)C(=O)OCCCCCCOC(F)(F)F)OCCCCCCOC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
FAAH O00519 2/20 0.32
NAAA Q02083 1/20 0.30

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
SCHEMBL12603881 0.94 FAAH (0.43) TSHRFAAHNAAA
SCHEMBL13248675 0.81 NAAA (0.51) TSHRFAAHNAAA
SCHEMBL13248674 0.81 NAAA (0.51) TSHRFAAHNAAA
SCHEMBL13248673 0.81 NAAA (0.51) TSHRFAAHNAAA
SCHEMBL29449991 0.81 NAAA (0.51) TSHRFAAHNAAA
SCHEMBL13248672 0.81 NAAA (0.51) TSHRFAAHNAAA
SCHEMBL13248678 0.81 NAAA (0.51) TSHRFAAHNAAA
SCHEMBL15488073 0.77 ATM (0.52) ALDH1A1TSHRFAAHNAAA
SCHEMBL15488072 0.77 ATM (0.52) ALDH1A1TSHRFAAHNAAA
SCHEMBL18117957 0.76 MEN1 (0.34)

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-20110118428-A1 FLUOROSURFACTANTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTERHAFTUNG (DE) 2011-05-19 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-20110118428-A1 FLUOROSURFACTANTS FPR3, Q6ZSR9, PFAS ALDH1A1 2987/4885CYP3A4 1364/4885TSHR 3033/4885

“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.