SCHEMBL6314290

SCHEMBL6314290

CCCC(=O)CC(=O)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 14/20 0.52
CES1 P23141 10/20 0.50
CES2 O00748 4/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 1/20 0.39
PLA2G4B P0C869 1/20 0.39
MAPT P10636 1/20 0.39
PLA2G4A P47712 1/20 0.39
BLM P54132 1/20 0.39
MGLL Q99685 1/20 0.39
PLA2G4C Q9UP65 1/20 0.39

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
SCHEMBL7252679 0.86 FAAH (0.59) FAAHCES1CES2MEN1CYP1A2
SCHEMBL1347562 0.85 FAAH (0.69) FAAHCES1CES2MEN1CYP1A2
SCHEMBL11218026 0.83 FAAH (0.70) FAAHCES1CES2MEN1CYP1A2
SCHEMBL20905096 0.83 FAAH (0.70) FAAHCES1CES2MEN1CYP1A2
SCHEMBL11214076 0.83 FAAH (0.70) FAAHCES1CES2MEN1CYP1A2
SCHEMBL11211125 0.83 FAAH (0.70) FAAHCES1CES2MEN1CYP1A2
SCHEMBL9770770 0.83 FAAH (0.70) FAAHCES1CES2MEN1CYP1A2
SCHEMBL5466926 0.83 FAAH (0.70) FAAHCES1CES2MEN1CYP1A2
SCHEMBL18319323 0.83 FAAH (0.70) FAAHCES1CES2MEN1CYP1A2
SCHEMBL31182126 0.82 FAAH (0.38) FAAHCES1CES2MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4322441-A Use of fluorinated beta-diketones as bacteriocides and fungicides MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-03-30 US claimed
US-20170253623-A1 IRIDIUM COMPLEX PRODUCTION METHOD TANAKA KIKINZOKU KOGYO K.K. (JP) 2017-09-07 US disclosed
US-20170253623-A1 IRIDIUM COMPLEX PRODUCTION METHOD TANAKA KIKINZOKU KOGYO K.K. (JP) 2017-09-07 US disclosed
US-20050107372-A1 2-(Quinolonyl)-fused heterocycles as androgen receptor modulators LANTER JAMES C (US) 2005-05-19 US disclosed
US-6858621-B2 2-(quinolonyl)-fused heterocycles as androgen receptor modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-02-22 US disclosed
US-20040014743-A1 2-(Quinolonyl)-fused heterocycles as androgen receptor modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-01-22 US disclosed
US-4322441-A Use of fluorinated beta-diketones as bacteriocides and fungicides MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-03-30 US disclosed
US-4320149-A Use of fluorinated beta-diketones as antiplaque agents MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-03-16 US disclosed
US-4180386-A ANTIKNOCK FUEL ADDITIVES E. I. DU PONT DE NEMOURS & COMPANY (US) 1979-12-25 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 (3 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-20040014743-A1 2-(Quinolonyl)-fused heterocycles as androgen receptor modulators AR, NR5A1, ESRRA FAAH 2662/4885CES1 1031/4885CES2 2577/4885
US-20050107372-A1 2-(Quinolonyl)-fused heterocycles as androgen receptor modulators AR, NR5A1, CYP19A1 FAAH 3191/4885CES1 1328/4885CES2 2546/4885
US-20170253623-A1 IRIDIUM COMPLEX PRODUCTION METHOD IPMK, TALDO1, BCKDK FAAH 3210/4885CES1 2112/4885CES2 3625/4885

“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.