SCHEMBL4596549

SCHEMBL4596549

CC(C)(C)N(C(=O)O)[C@@H]1c2ccccc2CC[C@H]1O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.39
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39
SIGMAR1 Q99720 3/20 0.38
MAPK1 P28482 1/20 0.38
MAPK14 Q16539 1/20 0.38
PIN1 Q13526 2/20 0.37
PDPK1 O15530 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC18A3 Q16572 1/20 0.36
CAMK2A Q9UQM7 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36

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
SCHEMBL2807726 0.86 ALDH1A1 (0.34) RAB9AALDH1A1HTTSIGMAR1MAPK1
SCHEMBL5065808 0.86 ALDH1A1 (0.34) RAB9AALDH1A1HTTSIGMAR1MAPK1
SCHEMBL193383 0.86 ALDH1A1 (0.34) RAB9AALDH1A1HTTSIGMAR1MAPK1
SCHEMBL4150632 0.86 ALDH1A1 (0.34) RAB9AALDH1A1HTTSIGMAR1MAPK1
SCHEMBL5065810 0.86 ALDH1A1 (0.34) RAB9AALDH1A1HTTSIGMAR1MAPK1
SCHEMBL192338 0.81 RAB9A (0.48) RAB9AALDH1A1XBP1HTTSIGMAR1
SCHEMBL193021 0.74 NTRK1 (0.37) RAB9ASIGMAR1MAPK1MAPK14PIN1
SCHEMBL1026496 0.72 HTR1A (0.48) MTNR1AMTNR1B
SCHEMBL15609375 0.72 KMT2A (0.33) RAB9AHTTCYP2C9CYP2C19
SCHEMBL29854859 0.69 SIGMAR1 (0.33) RAB9AALDH1A1XBP1HTTSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318947-A1 Inhibitors of Akt Activity HEERDING DIRK A 2008-12-25 US disclosed
EP-1874768-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113837-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 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 (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-20080318947-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 RAB9A 877/4885ALDH1A1 4166/4885XBP1 2448/4885

“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.