SCHEMBL8083752

SCHEMBL8083752

CC(C)C(=O)OCc1cccc(-c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.55
MMP2 P08253 2/20 0.55
MMP12 P39900 2/20 0.55
MMP9 P14780 1/20 0.53
AGXT P21549 1/20 0.53
MGLL Q99685 2/20 0.52
NR4A2 P43354 1/20 0.51
CFD P00746 2/20 0.49
F11 P03951 2/20 0.49
TPSB2 P20231 2/20 0.49
FFAR1 O14842 3/20 0.49
AKR1B1 P15121 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
PTGES O14684 1/20 0.49
PTGS2 P35354 1/20 0.49
POLB P06746 1/20 0.48
MRGPRX4 Q96LA9 2/20 0.48
ALDH1A1 P00352 1/20 0.47
ENPP2 Q13822 1/20 0.47
BCL2 P10415 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
SCHEMBL26240902 0.86 ALDH1A1 (0.47) POLBMRGPRX4ALDH1A1
SCHEMBL8085256 0.85 RAB9A (0.53) AGXTFFAR1ALDH1A1
SCHEMBL112859 0.84 ALDH1A1 (0.64) ALDH1A1
SCHEMBL487699 0.83 ALDH1A1 (0.70) MMP1MMP2MMP12MMP9AGXT
Hydrochloric Acid SCHEMBL29090140 0.83 ALDH1A1 (0.62) ALDH1A1
Ammonia Solution, Strong SCHEMBL27788705 0.83 ALDH1A1 (0.62) ALDH1A1
SCHEMBL7208472 0.81 ENPP2 (0.46) ALDH1A1ENPP2
SCHEMBL22066497 0.81 MMP1 (0.56) MMP1MMP2MMP12MMP9FFAR1
Acetic Acid SCHEMBL27664299 0.81 ALDH1A1 (0.66) ALDH1A1
SCHEMBL8402521 0.81 MMP1 (0.55) MMP1MMP2MMP12MMP9AGXT

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-20080286233-A1 PIPERIZINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-11-20 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 MMP1 501/4885MMP2 117/4885MMP12 172/4885

“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.