SCHEMBL8085256

SCHEMBL8085256

CC(C)C(=O)OCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
NAAA Q02083 3/20 0.52
ALDH1A1 P00352 2/20 0.52
EPHX1 P07099 1/20 0.49
IDO1 P14902 2/20 0.48
AGXT P21549 2/20 0.48
ABCC4 O15439 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
PTGS1 P23219 1/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 1/20 0.48
FFAR1 O14842 1/20 0.46

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
SCHEMBL13855308 0.89 NAAA (0.45) RAB9ANPC1NAAAALDH1A1EPHX1
SCHEMBL112859 0.89 ALDH1A1 (0.64) RAB9ANPC1ALDH1A1LMNATSHR
SCHEMBL12885341 0.88 ALDH1A1 (0.44) RAB9ANPC1NAAAALDH1A1EPHX1
Hydrochloric Acid SCHEMBL29090140 0.87 ALDH1A1 (0.62) RAB9ANPC1ALDH1A1LMNATSHR
Ammonia Solution, Strong SCHEMBL27788705 0.87 ALDH1A1 (0.62) RAB9ANPC1ALDH1A1LMNATSHR
SCHEMBL15762727 0.87 ALDH1A1 (0.48) ALDH1A1LMNA
SCHEMBL28178911 0.86 NAAA (0.50) RAB9ANPC1NAAAALDH1A1EPHX1
SCHEMBL260370 0.86 MMP12 (0.45) RAB9ANPC1NAAAALDH1A1AGXT
Acetic Acid SCHEMBL27664299 0.85 ALDH1A1 (0.66) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL12733151 0.85 NAAA (0.49) RAB9ANPC1NAAAALDH1A1EPHX1

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-20080286233-A1 PIPERIZINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-11-20 US disclosed
US-7449447-B2 Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2008-11-11 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-20080286233-A1 PIPERIZINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, HPN, PREP RAB9A 3267/4885NPC1 160/4885NAAA 800/4885

“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.