SCHEMBL12562964

SCHEMBL12562964

CC(C)c1ccc(Br)n1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RORC P51449 2/20 0.36
BCHE P06276 1/20 0.36
ABCB1 P08183 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
ESR2 Q92731 1/20 0.34
NR1H2 P55055 3/20 0.33
NR1H3 Q13133 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
TSHR P16473 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
ALOX15 P16050 1/20 0.33
UCHL1 P09936 1/20 0.32

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
SCHEMBL424632 0.84 BCHE (0.42) NPC1HTTRAB9ARORCBCHE
SCHEMBL421300 0.79 RORC (0.36) RORCBCHEABCB1GPR119ESR2
SCHEMBL25694403 0.77 BCHE (0.37) RORCBCHEABCB1GPR119ESR2
SCHEMBL421514 0.75 BCHE (0.36) NPC1HTTRAB9ARORCBCHE
SCHEMBL26405191 0.74 ABCB1 (0.37) RORCBCHEABCB1GPR119ESR2
SCHEMBL498994 0.74 NR1H2 (0.44) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL12562967 0.73 HTT (0.33) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL28050021 0.72 BCHE (0.41) ALDH1A1MAPTMAPK1BCHEABCB1
SCHEMBL14260516 0.70 NR1H2 (0.54) NR1H2NR1H3CA12CA9
SCHEMBL425376 0.70 GLA (0.39) L3MBTL1NR1H2TSHRCA12CA9

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-20110152313-A1 SYNTHESIS OF AGELADINE A AND ANALOGS THEREOF MACQUARIE UNIVERSITY (AU) 2011-06-23 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-20110152313-A1 SYNTHESIS OF AGELADINE A AND ANALOGS THEREOF QDPR, ODC1, CROCC NPC1 2239/4885ALDH1A1 45/4885MAPT 213/4885

“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.