SCHEMBL6450302

SCHEMBL6450302

CC1(C)COC(c2ccc(O)c(C(=O)O)c2)OC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 5/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPK1 P28482 1/20 0.44
PTGS2 P35354 2/20 0.44
MEN1 O00255 2/20 0.44
KDR P35968 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TNF P01375 1/20 0.44
CYP3A4 P08684 1/20 0.44
HSPD1 P10809 1/20 0.44
THRB P10828 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL26427919 0.83 ACMSD (0.58) ACMSDPTGS2MEN1KDRKMT2A
SCHEMBL14930911 0.76 SMN1; SMN2 (0.69) NPC1RAB9ASMN1; SMN2MAPK1MEN1
SCHEMBL20271235 0.75 NPC1 (0.43) NPC1RAB9ASMN1; SMN2MAPK1MEN1
SCHEMBL10106379 0.74 NPC1 (0.55) NPC1RAB9ASMN1; SMN2MAPK1MEN1
SCHEMBL20290646 0.74 NPC1 (0.42) NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL18119744 0.73 SMN1; SMN2 (0.62) NPC1RAB9ASMN1; SMN2MAPK1MEN1
SCHEMBL19923127 0.72 SMN1; SMN2 (0.58) NPC1RAB9ASMN1; SMN2MAPK1MEN1
SCHEMBL14323699 0.71 GAA (0.52) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5452463 0.71 ACMSD (0.56) ACMSDPTGS2MEN1KDRKMT2A
SCHEMBL27881571 0.71 ACMSD (0.86) ACMSDPTGS2MEN1KDRKMT2A

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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 WO 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC ACMSD 2351/4885NPC1 59/4885RAB9A 2483/4885

“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.