SCHEMBL3487311

SCHEMBL3487311

O=C(C(F)CCCc1ccccc1)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 4/20 0.44
▸ FAAH O00519 3/20 0.44
▸ GRIK1 P39086 1/20 0.41
▸ HDAC3 O15379 3/20 0.41
▸ HDAC1 Q13547 3/20 0.41
▸ HDAC2 Q92769 3/20 0.41
▸ HDAC8 Q9BY41 3/20 0.41
▸ HDAC6 Q9UBN7 3/20 0.41
▸ HDAC5 Q9UQL6 3/20 0.41
▸ HDAC4 P56524 2/20 0.41
▸ HDAC7 Q8WUI4 2/20 0.41
▸ HDAC10 Q969S8 2/20 0.41
▸ HDAC11 Q96DB2 2/20 0.41
▸ HDAC9 Q9UKV0 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PPARG P37231 2/20 0.41
▸ PPARA Q07869 2/20 0.41

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
SCHEMBL13498530 0.91 CES1 (0.46) CES1FAAHGRIK1HDAC3HDAC1
SCHEMBL3487610 0.84 CES1 (0.53) CES1FAAHGRIK1HDAC3HDAC1
SCHEMBL3489536 0.80 CES1 (0.55) CES1FAAHHDAC3HDAC1HDAC2
SCHEMBL3489217 0.77 GRIK1 (0.54) CES1FAAHGRIK1HDAC3HDAC1
SCHEMBL13498523 0.74 HDAC3 (0.48) CES1FAAHGRIK1HDAC3HDAC1
SCHEMBL3488297 0.74 FAAH (0.69) CES1FAAHHDAC3HDAC1HDAC2
SCHEMBL3488995 0.73 FAAH (0.71) CES1FAAHHDAC3HDAC1HDAC2
SCHEMBL13498541 0.73 CES1 (0.41) CES1FAAHGRIK1HDAC3HDAC1
SCHEMBL13498550 0.73 FAAH (0.71) CES1FAAHHDAC3HDAC1HDAC2
SCHEMBL3488478 0.71 KMT2A (0.46) GRIK1HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048727-A1 PERFLUOROKETONE COMPOUNDS AND USES THEREOF DAVID SAMUEL 2010-02-25 — — US disclosed
US-20100048727-A1 PERFLUOROKETONE COMPOUNDS AND USES THEREOF DAVID SAMUEL 2010-02-25 — — 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-20100048727-A1 PERFLUOROKETONE COMPOUNDS AND USES THEREOF PLA2G1B, PLA2G4B, PLA2G2E CES1 428/4885FAAH 26/4885GRIK1 260/4885

“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.

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