SCHEMBL3087598

SCHEMBL3087598

CC(C)(C)C(Oc1cccc(CN)c1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLAU P00749 7/20 0.59
PLG P00747 6/20 0.59
PLAT P00750 5/20 0.59
LOXL2 Q9Y4K0 2/20 0.44
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40
ADAMTS4 O75173 1/20 0.40
CFD P00746 1/20 0.40
ACHE P22303 1/20 0.40
SLC7A5 Q01650 1/20 0.39
MAOB P27338 1/20 0.39
ENPP2 Q13822 1/20 0.39

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
SCHEMBL17128638 0.89 ACHE (0.53) PLAUPLGPLATPPARGPPARA
SCHEMBL6215677 0.87 TSHR (0.47) PLAUPLGPLATPPARGPPARA
SCHEMBL4496522 0.85 PLG (0.46) PLAUPLGPLATPPARGPPARA
SCHEMBL6218156 0.85 PLG (0.48) PLAUPLGPLATPPARGPPARA
SCHEMBL8986811 0.84 PLG (0.45) PLAUPLGPLATPPARGPPARA
SCHEMBL17128651 0.82 PLG (0.43) PLAUPLGPLATPPARGPPARA
SCHEMBL7560341 0.80 CYP3A4 (0.46) PLAUPLGPLATMAOB
SCHEMBL7037791 0.79 ATM (0.47) PLAUPLGPLATPPARGPPARA
SCHEMBL17128639 0.79 PLG (0.41) PLAUPLGPLATPPARGPPARA
SCHEMBL16753741 0.78 PLG (0.41) PLAUPLGPLAT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150541-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2015-10-06 US disclosed
US-8486970-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2013-07-16 US disclosed
US-20100227866-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-09 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-20100227866-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 PLAU 1340/4885PLG 3513/4885PLAT 3341/4885

“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.