SCHEMBL2938892

SCHEMBL2938892

CC(C)(C)Oc1ccc(CO)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
POLB P06746 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
CNR1 P21554 2/20 0.32
CNR2 P34972 1/20 0.32
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32
MAPT P10636 1/20 0.32
MAP4K4 O95819 1/20 0.32
HSD17B10 Q99714 1/20 0.31
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
MTOR P42345 1/20 0.30

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
SCHEMBL20329879 0.83 KDM4E (0.40) POLBRAB9ANPC1CYP4F2CYP4A11
SCHEMBL15945543 0.81 ESR1 (0.39) PPARGPPARAPOLBRAB9ACYP4F2
SCHEMBL20133299 0.81 LOXL2 (0.37) POLBRAB9ACYP4F2CYP4A11KDM4E
SCHEMBL21922351 0.81 ENPP2 (0.37) PPARGPPARA
SCHEMBL30612233 0.81 ENPP2 (0.37) PPARGPPARA
SCHEMBL9345372 0.80 KDM4E (0.32) POLBRAB9ACYP4F2CYP4A11KDM4E
SCHEMBL21503526 0.79 CNR1 (0.36) PPARGPPARACNR1CNR2
SCHEMBL21472218 0.79 CD274 (0.45) KDM4EMAPTCD274
SCHEMBL20133061 0.79 KDM1A (0.36) POLBRAB9AKDM4ECNR1CNR2
SCHEMBL2936144 0.79 AGXT (0.41)

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190000832-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF Selder Pharma Inc. (US) 2019-01-03 US disclosed
US-20190000832-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF Selder Pharma Inc. (US) 2019-01-03 US disclosed
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2018-07-10 US disclosed
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2018-07-10 US disclosed
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2018-07-10 US disclosed
US-20170189390-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC. (US) 2017-07-06 US disclosed
US-20170189390-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC. (US) 2017-07-06 US disclosed
US-20170189390-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC. (US) 2017-07-06 US disclosed
US-9526719-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2016-12-27 US disclosed
US-9526719-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2016-12-27 US disclosed
US-8486970-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2013-07-16 US disclosed
US-8486970-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2013-07-16 US disclosed
US-8486970-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2013-07-16 US disclosed
CN-101668747-B Tetrahydroisoquinolin-1-one derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2012-02-01 CN disclosed
US-20100227866-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-09 US disclosed
US-20100227866-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-09 US disclosed
US-20100227866-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-09 US disclosed
CN-101668747-A Tetrahydroisoquinolin-1-one derivatives or salts thereof ASTELLAS PHARMA INC 2010-03-10 CN disclosed
EP-2149561-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-02-03 EP disclosed
EP-2149561-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-02-03 EP 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 (4 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-20170189390-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 PPARG 4085/4885PPARA 4099/4885POLB 4769/4885
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof BRS3, BDKRB2, NTSR2 PPARG 4085/4885PPARA 4099/4885POLB 4769/4885
US-20100227866-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 PPARG 3671/4885PPARA 3771/4885POLB 4767/4885
US-20190000832-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 PPARG 4085/4885PPARA 4099/4885POLB 4769/4885

“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.