SCHEMBL13811549

SCHEMBL13811549

CC(C)(C)C(=O)OCc1cc(F)c(F)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.50
RIPK1 Q13546 2/20 0.43
ELANE P08246 2/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
NPC1 O15118 2/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL14145133 0.85 RIPK1 (0.54) MAOBRIPK1L3MBTL1MEN1KMT2A
SCHEMBL13544042 0.84 MMP1 (0.44) MAOBELANEL3MBTL1NPC1CASP3
SCHEMBL13811550 0.83 MAOB (0.54) MAOBRIPK1ELANEL3MBTL1NPC1
SCHEMBL13034153 0.79 MAOB (0.54) MAOBRIPK1CES2CES1ALDH1A1
SCHEMBL13811749 0.78 PARP10 (0.42) ELANENPC1GAAPOLBNPSR1
SCHEMBL27255656 0.77 IDO1 (0.50) MAOBELANEL3MBTL1POLBNPSR1
SCHEMBL27305897 0.77 ELANE (0.52) ELANEL3MBTL1NPC1CASP3RAB9A
SCHEMBL13543649 0.76 L3MBTL1 (0.54) MAOBELANEL3MBTL1NPC1CASP3
SCHEMBL27255654 0.76 ELANE (0.41) ELANEL3MBTL1NPC1CASP3RAB9A
SCHEMBL28682463 0.76 MAOB (0.46) MAOBRIPK1CES2CES1ALDH1A1

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-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 MAOB 186/4885RIPK1 4519/4885ELANE 1963/4885

“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.