SCHEMBL2000163

SCHEMBL2000163

CC(=O)COCc1cc[c]cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 2/20 0.35
MAPT P10636 1/20 0.35
GRM5 P41594 1/20 0.33
CES2 O00748 1/20 0.33
TSHR P16473 1/20 0.32
HSD11B1 P28845 1/20 0.32
MAOB P27338 1/20 0.32
RAB9A P51151 1/20 0.32
PLA2G4B P0C869 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL712779 0.80 ALDH1A1 (0.59) ALDH1A1NPC1MAPTGRM5TSHR
SCHEMBL10305879 0.78 RAB9A (0.51) ALDH1A1NPC1MAPTMAOBRAB9A
SCHEMBL8233855 0.77 GRM5 (0.46) GRM5TSHRMAOB
SCHEMBL9358412 0.77 MAOA (0.51) ALDH1A1NPC1MAPTGRM5MAOB
SCHEMBL19002292 0.77 RAB9A (0.50) ALDH1A1NPC1MAPTTSHRMAOB
SCHEMBL3878195 0.76 ALDH1A1 (0.64) ALDH1A1
SCHEMBL19002576 0.76 HTT (0.53) ALDH1A1NPC1MAPTRAB9APLA2G4B
SCHEMBL16542352 0.73 ALDH1A1 (0.51) ALDH1A1CES2
SCHEMBL4933643 0.73 POLB (0.47) ALDH1A1CES2TSHR
SCHEMBL160781 0.73 TSHR (0.39) TSHR

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-7960571-B2 Silicon-based cross-coupling reagent and production method of organic compound using the same KYOTO UNIVERSITY (JP) 2011-06-14 US disclosed
US-20090069577-A1 Silicon-Based Cross-Coupling Reagent and Production Method of Organic Compound Using the Same KYOTO UNIVERSITY (JP) 2009-03-12 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-20090069577-A1 Silicon-Based Cross-Coupling Reagent and Production Method of Organic Compound Using the Same DNMT1, TET3, CTCF ALDH1A1 3368/4885NPC1 4522/4885MAPT 3897/4885

“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.