SCHEMBL18472607

SCHEMBL18472607

CC(=O)NC(CC(C)(C)C)C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ THPO P40225 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ GRN P28799 1/20 0.38
▸ SORT1 Q99523 1/20 0.38
▸ CTSL P07711 2/20 0.32
▸ EPHX1 P07099 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CTSS P25774 2/20 0.31
▸ CTSB P07858 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
SCHEMBL16841994 1.00 KDM4E (0.43) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL16841996 0.84 MAPT (0.57) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL13974014 0.84 MAPT (0.57) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL17322650 0.83 KDM4E (0.45) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL23730611 0.81 SMN1; SMN2 (0.39) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL20353320 0.79 GRN (0.35) GRNSORT1
SCHEMBL14404899 0.78 DPP4 (0.33) GRNSORT1CTSLCTSSCTSB
SCHEMBL20844329 0.75 KDM4E (0.39) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL14111179 0.74 NFKB1 (0.45) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL12661040 0.74 NFKB1 (0.45) KDM4EMAPTTHRBALOX15NFKB1

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-20170036980-A1 COPPER CATALYZED [18F]FLUORINATION OF IODONIUM SALTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-02-09 — — 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-20170036980-A1 COPPER CATALYZED [18F]FLUORINATION OF IODONIUM SALTS SOD1, TPO, FLI1 KDM4E 4030/4885MAPT 2773/4885THRB 2221/4885

“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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