SCHEMBL679850

SCHEMBL679850

CC(=O)[C@H](CC(C)(C)C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.45
CYP2C19 P33261 1/20 0.42
EPHX1 P07099 1/20 0.42
LMNA P02545 2/20 0.41
HSD17B10 Q99714 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
CYP2D6 P10635 1/20 0.39
SRC P12931 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL679846 1.00 RIPK1 (0.45) RIPK1CYP2C19EPHX1LMNAHSD17B10
SCHEMBL681511 1.00 RIPK1 (0.45) RIPK1CYP2C19EPHX1LMNAHSD17B10
SCHEMBL681077 0.86 CYP2C19 (0.52) RIPK1CYP2C19EPHX1LMNAHSD17B10
SCHEMBL679845 0.86 CYP2C19 (0.52) RIPK1CYP2C19EPHX1LMNAHSD17B10
SCHEMBL681512 0.86 CYP2C19 (0.52) RIPK1CYP2C19EPHX1LMNAHSD17B10
SCHEMBL16900282 0.84 RIPK1 (0.42) RIPK1CYP2C19EPHX1LMNAHSD17B10
SCHEMBL18418940 0.84 RIPK1 (0.42) RIPK1CYP2C19EPHX1LMNAHSD17B10
SCHEMBL28979022 0.80 KMT2A (0.55) RIPK1LMNAESR1ESR2ATM
SCHEMBL20993289 0.80 LMNA (0.46) RIPK1LMNAMEN1KMT2A
SCHEMBL27499869 0.80 RIPK1 (0.39) RIPK1CYP2C19EPHX1LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063050-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-11-22 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 (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-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 RIPK1 1355/4885CYP2C19 1175/4885EPHX1 1879/4885

“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.