SCHEMBL684726

SCHEMBL684726

CN[C@H](Cc1ccc(OCc2ccccc2)cc1)C(C)=O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.62
MMP9 P14780 1/20 0.61
MMP8 P22894 1/20 0.61
LTA4H P09960 1/20 0.56
MAOB P27338 2/20 0.56
MME P08473 1/20 0.56
ACE P12821 1/20 0.56
CPA1 P15085 1/20 0.56
ACE2 Q9BYF1 1/20 0.56
PPARA Q07869 3/20 0.56
GPR34 Q9UPC5 1/20 0.55
FFAR1 O14842 1/20 0.55
FFAR4 Q5NUL3 1/20 0.55
ALOX5 P09917 1/20 0.53
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
PPARD Q03181 1/20 0.53

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
SCHEMBL13013217 1.00 PPARG (0.62) PPARGMMP9MMP8LTA4HMAOB
SCHEMBL13227760 1.00 PPARG (0.62) PPARGMMP9MMP8LTA4HMAOB
SCHEMBL2035189 0.90 PPARG (0.67) PPARGMMP9MMP8LTA4HMME
SCHEMBL2030203 0.90 PPARG (0.67) PPARGMMP9MMP8LTA4HMME
SCHEMBL8760872 0.90 PPARG (0.67) PPARGMMP9MMP8LTA4HMME
SCHEMBL23901567 0.88 LTA4H (0.61) PPARGMMP9MMP8LTA4HMAOB
SCHEMBL3499757 0.88 LTA4H (0.65) PPARGMMP9MMP8LTA4HMME
SCHEMBL3499760 0.88 LTA4H (0.65) PPARGMMP9MMP8LTA4HMME
SCHEMBL10272198 0.86 MMP9 (0.59) PPARGMMP9MMP8LTA4HMAOB
SCHEMBL681310 0.86 MMP9 (0.59) PPARGMMP9MMP8LTA4HMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160235754-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-08-18 US disclosed
US-9359340-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-06-07 US disclosed
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. 2016-06-02 US disclosed
US-9303040-B2 Substituted piperazines as AKT inhibitors ARRAY BIOPHARMA INC. (US) 2016-04-05 US disclosed
US-20150191479-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2015-07-09 US disclosed
US-20140349996-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2014-11-27 US disclosed
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2014-11-27 US disclosed
US-8853199-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-10-07 US disclosed
US-8846681-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-09-30 US disclosed
US-8063050-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-11-22 US disclosed
US-8003651-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-08-23 US disclosed
US-20080058327-A1 4-piperazinyl-5H-6,7-dihydrocyclopenta(d)pyrimidines; Hyperproliferative diseases such as cancer GENENTECH, INC. 2008-03-06 US disclosed
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2008-02-28 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 (7 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-20080058327-A1 4-piperazinyl-5H-6,7-dihydrocyclopenta(d)pyrimidines; Hyperproliferative diseases such as cancer PIK3CA, DPYD, CDK2 PPARG 1433/4885MMP9 2713/4885MMP8 3492/4885
US-20160235754-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 PPARG 2918/4885MMP9 1285/4885MMP8 2905/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 PPARG 2890/4885MMP9 1353/4885MMP8 2965/4885
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 PPARG 2890/4885MMP9 1353/4885MMP8 2965/4885
US-20150191479-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS DPYD, DTYMK, PIK3CA PPARG 2708/4885MMP9 3697/4885MMP8 4133/4885
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 PPARG 2890/4885MMP9 1353/4885MMP8 2965/4885
US-20140349996-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 PPARG 3109/4885MMP9 2189/4885MMP8 3050/4885

“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.