SCHEMBL3661760

SCHEMBL3661760

CCC1CCC(=O)C1C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
HIF1A Q16665 1/20 0.40
AKR1C4 P17516 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
ALDH1A1 P00352 1/20 0.36
BRD4 O60885 1/20 0.35
DNTT P04053 1/20 0.35
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TLR4 O00206 4/20 0.33
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 0.32
FKBP1A P62942 1/20 0.31

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
SCHEMBL11619625 0.86 CYP1A2 (0.40) CYP1A2HIF1AAKR1C4AKR1C3AKR1C2
SCHEMBL11754424 0.83 AKR1C4 (0.47) CYP1A2HIF1AAKR1C4AKR1C3AKR1C2
SCHEMBL21121156 0.83 CYP1A2 (0.38) CYP1A2HIF1AAKR1C4AKR1C3AKR1C2
SCHEMBL11647407 0.80 CYP1A2 (0.36) CYP1A2HIF1AAKR1C4AKR1C3AKR1C2
SCHEMBL28795670 0.79 AKR1C4 (0.45) AKR1C4AKR1C3AKR1C2TLR4
SCHEMBL14461777 0.79 AKR1C4 (0.37) AKR1C4AKR1C3AKR1C2TLR4
SCHEMBL3301366 0.76 CYP1A2 (0.46) CYP1A2HIF1AALDH1A1BRD4DNTT
SCHEMBL11062607 0.76 ALDH1A1 (0.49) CYP1A2HIF1AALDH1A1BRD4DNTT
SCHEMBL11604794 0.76 DNTT (0.40) ALDH1A1DNTTTSHRHTTSMN1; SMN2
SCHEMBL8020205 0.76 CYP1A2 (0.43) CYP1A2HIF1AALDH1A1BRD4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346805-B2 Pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-05-24 US disclosed
CN-102015708-B Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC 2014-03-26 CN disclosed
US-20130072500-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2013-03-21 US disclosed
EP-2240483-B1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2013-02-27 EP disclosed
US-8324221-B2 Pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2012-12-04 US disclosed
US-20110053959-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-03-03 US disclosed
EP-2240483-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-10-20 EP disclosed
WO-2009089454-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-07-16 WO 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 (2 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-20110053959-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, PIK3CA CYP1A2 1127/4885HIF1A 2584/4885AKR1C4 863/4885
US-20130072500-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS PIK3CA, AKT1, AKT2 CYP1A2 1057/4885HIF1A 2626/4885AKR1C4 754/4885

“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.