SCHEMBL21499282

SCHEMBL21499282

COc1cc(CO)cnc1C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
FYN P06241 1/20 0.39
GFER P55789 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE10A Q9Y233 5/20 0.37
DPP4 P27487 1/20 0.37
GAA P10253 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
TNKS2 Q9H2K2 1/20 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
SCHEMBL18948307 0.82 PTGS2 (0.50) NPC1POLBRAB9APDE4APDE4B
SCHEMBL19330511 0.81 NPC1 (0.48) NPC1POLBRAB9AHSD17B10ALOX15
SCHEMBL18743136 0.81 LOX (0.42) HSD17B10TSHRPDE10ADPP4
SCHEMBL2746570 0.79 NPC1 (0.54) NPC1POLBRAB9AHSD17B10ALOX15
SCHEMBL10112979 0.79 NPC1 (0.47) NPC1POLBRAB9AHSD17B10ALOX15
SCHEMBL11785444 0.79 CYP4F2 (0.51) NPC1POLBRAB9AHSD17B10ALOX15
Hydrochloric Acid SCHEMBL11783977 0.78 CYP4F2 (0.50) NPC1POLBRAB9AHSD17B10ALOX15
SCHEMBL11785650 0.76 HTT (0.54) NPC1POLBRAB9A
SCHEMBL11785365 0.75 KMT2A (0.48) NPC1POLBRAB9A
SCHEMBL336161 0.75 SHBG (0.41) HSD17B10FYN

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-20200048223-A1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2020-02-13 US disclosed
US-10450300-B2 Wnt signaling pathway inhibitors and therapeutic applications thereof Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2019-10-22 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 (2 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-10450300-B2 Wnt signaling pathway inhibitors and therapeutic applications thereof WNT1, WNT3A, CTNNB1 NPC1 478/4885POLB 3111/4885RAB9A 1144/4885
US-20200048223-A1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF WNT1, WNT3A, CTNNB1 NPC1 478/4885POLB 3111/4885RAB9A 1144/4885

“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.