SCHEMBL531655

SCHEMBL531655

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ATM Q13315 1/20 0.42
NR1H2 P55055 3/20 0.40
NR1H3 Q13133 3/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TRPA1 O75762 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37

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
SCHEMBL19305428 1.00 RIPK1 (0.42) RIPK1KDM4EATMNR1H2NR1H3
SCHEMBL19305426 1.00 RIPK1 (0.42) RIPK1KDM4EATMNR1H2NR1H3
SCHEMBL4345757 0.88 TRPA1 (0.41) RIPK1KDM4EATMCHRNB2CHRNB4
SCHEMBL18222240 0.85 SLC6A4 (0.38) MEN1KMT2ACYP2C9CYP2C19MAPT
SCHEMBL3338985 0.85 TDP1 (0.38) RIPK1KDM4EMEN1KMT2AHTT
SCHEMBL3340453 0.85 TDP1 (0.38) RIPK1KDM4EMEN1KMT2AHTT
SCHEMBL1231239 0.85 SLC6A2 (0.42) KDM4EATMCHRNB2CHRNB4CHRNA3
SCHEMBL14909537 0.85 SLC6A2 (0.42) KDM4EATMCHRNB2CHRNB4CHRNA3
SCHEMBL9716115 0.85 SLC6A2 (0.42) KDM4EATMCHRNB2CHRNB4CHRNA3
SCHEMBL15229301 0.85 OPRK1 (0.41) KDM4ELMNABLMTSHRNFKB1

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
EP-2415759-A1 CETP inhibitors Merck Sharp & Dohme Corporation (US) 2012-02-08 EP disclosed
US-20080318947-A1 Inhibitors of Akt Activity HEERDING DIRK A 2008-12-25 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-20080318947-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 RIPK1 326/4885KDM4E 2078/4885ATM 932/4885

“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.