SCHEMBL5500788

SCHEMBL5500788

O=COC(C(=O)OCc1ccccc1)c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
NOTUM Q6P988 1/20 0.36
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
CDC25B P30305 1/20 0.35
ALDH1A1 P00352 4/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
PNMT P11086 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR7 P34969 1/20 0.34
HTR2B P41595 1/20 0.34
ELANE P08246 1/20 0.34
MAPK1 P28482 1/20 0.34
SLC6A2 P23975 1/20 0.34

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
SCHEMBL16096838 0.81 NPC1 (0.40) NPC1RAB9AALDH1A1PNMTMAPT
SCHEMBL27624642 0.80 SLC1A3 (0.45) NPC1RAB9ASLC1A3SLC1A2SLC1A1
SCHEMBL648281 0.74 PNMT (0.47) NPC1RAB9ASLC1A3SLC1A2SLC1A1
SCHEMBL4462321 0.72 NPC1 (0.41) NPC1RAB9AALDH1A1PNMTL3MBTL1
SCHEMBL9948353 0.72 PNMT (0.50) NPC1RAB9ANOTUMALDH1A1PTGDR2
SCHEMBL7702275 0.71 HTR7 (0.39) NPC1RAB9AALDH1A1PNMTMAPT
SCHEMBL28388012 0.70 NPC1 (0.43) NPC1RAB9AALDH1A1PNMTMAPT
SCHEMBL21758208 0.69 NPC1 (0.47) NPC1RAB9ASLC1A3SLC1A2SLC1A1
SCHEMBL21046174 0.69 HTR2B (0.49) NPC1RAB9ASLC1A3SLC1A2SLC1A1
SCHEMBL6129732 0.68 PNMT (0.37) NPC1RAB9APNMTHTR7HTR2B

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-20070172517-A1 Compositions capable of facilitation penetration across a biological barrier CHIASMA, INC. 2007-07-26 US claimed

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-20070172517-A1 Compositions capable of facilitation penetration across a biological barrier PGF, MMP8, FCGR3B NPC1 129/4885RAB9A 1746/4885NOTUM 3824/4885

“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.