SCHEMBL12792015

SCHEMBL12792015

COC(c1ccc(C)cc1)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.38
ACHE P22303 2/20 0.37
TSHR P16473 1/20 0.37
MLKL Q8NB16 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 3/20 0.32
CYP19A1 P11511 2/20 0.32
MAPT P10636 2/20 0.32
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
CYP26A1 O43174 1/20 0.31
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
RELA Q04206 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
GLA P06280 1/20 0.30
POLB P06746 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
SCHEMBL12791347 1.00 CHRNA7 (0.38) CHRNA7ACHETSHRMLKLTDP1
SCHEMBL12791288 0.80 AOC3 (0.46) TSHRTDP1CYP19A1MAPTPPARA
SCHEMBL12791260 0.80 AOC3 (0.46) TSHRTDP1CYP19A1MAPTPPARA
SCHEMBL12847686 0.80 AOC3 (0.46) TSHRTDP1CYP19A1MAPTPPARA
SCHEMBL12282035 0.80 CHRNA7 (0.37) CHRNA7ACHETSHRMLKLTDP1
SCHEMBL11911981 0.79 ATM (0.40) MAPK1L3MBTL1
SCHEMBL14663964 0.79 ATM (0.40) MAPK1L3MBTL1
SCHEMBL12344306 0.79 ATM (0.40) MAPK1L3MBTL1
SCHEMBL30183000 0.77 CHRNA7 (0.34) CHRNA7ACHETSHRMLKLTDP1
SCHEMBL11125030 0.75 ALDH1A1 (0.38) CHRNA7ACHEMLKLTDP1ALDH1A1

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 4 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
US-20130072500-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2013-03-21 US 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

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 CHRNA7 4853/4885ACHE 4828/4885TSHR 3855/4885
US-20130072500-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS PIK3CA, AKT1, AKT2 CHRNA7 4854/4885ACHE 4809/4885TSHR 3750/4885

“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.