SCHEMBL6912868

SCHEMBL6912868

CC(C)(C)C(=O)CC(=O)C(C)(C)C.O=C(CC(=O)C(F)(F)F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.41
CES1 P23141 8/20 0.39
CES2 O00748 4/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PLOD2 O00469 3/20 0.39
PLOD3 O60568 2/20 0.38
PLOD1 Q02809 2/20 0.38
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 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
SCHEMBL77034 1.00 FAAH (0.41) FAAHCES1CES2MEN1CYP1A2
SCHEMBL8070156 1.00 FAAH (0.41) FAAHCES1CES2MEN1CYP1A2
SCHEMBL93393 0.85 KMT2A (0.39) MEN1KMT2AALDH1A1
SCHEMBL183178 0.85 PLOD2 (0.46) FAAHCES1CES2MEN1CYP1A2
SCHEMBL4837194 0.85 KMT2A (0.39) MEN1KMT2AALDH1A1
SCHEMBL23009373 0.83 PLOD2 (0.43) FAAHCES1CES2MEN1CYP1A2
SCHEMBL11515923 0.83 FAAH (0.41) FAAHCES1CES2MEN1CYP1A2
SCHEMBL11974568 0.83 KMT2A (0.32) FAAHCES1CES2MEN1CYP1A2
SCHEMBL23176761 0.83 KMT2A (0.32) FAAHCES1CES2MEN1CYP1A2
SCHEMBL9566006 0.82 KMT2A (0.37) MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 US disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 US disclosed
US-6677410-B2 COORDINATION CATALYSTS EASTMAN CHEMICAL COMPANY 2004-01-13 US disclosed
US-20030004285-A1 Procatalysts, catalyst systems, and use in olefin polymerization WESTLAKE LONGVIEW CORPORATION 2003-01-02 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-20170250353-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 FAAH 4765/4885CES1 4792/4885CES2 2602/4885

“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.