SCHEMBL13233255

SCHEMBL13233255

CC(C)(C)CCC(=O)Nc1ccccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 2/20 0.56
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
HSD17B10 Q99714 1/20 0.56
GAA P10253 5/20 0.53
MAPT P10636 4/20 0.53
HTT P42858 3/20 0.53
LMNA P02545 2/20 0.53
KDM1A O60341 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
PKM P14618 1/20 0.49
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 2/20 0.48
MAPK1 P28482 1/20 0.46

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
SCHEMBL9125579 0.83 HDAC3 (0.62) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL11988227 0.83 SMN1; SMN2 (0.64) RAB9ASMN1; SMN2NPC1ALDH1A1GAA
SCHEMBL7783678 0.82 HDAC1 (0.66) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL5536448 0.81 MAPK1 (0.69) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL29721986 0.81 MAPK1 (0.69) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL13233264 0.80 ALDH1A1 (0.67) SMN1; SMN2ALDH1A1HPGDHSD17B10GAA
SCHEMBL3223491 0.79 KDM1A (0.60) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL13263765 0.78 CETP (0.67) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL13416408 0.78 KDM1A (0.68) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL9157833 0.77 MAPT (0.60) RAB9ASMN1; SMN2ALDH1A1HPGDGAA

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-7750151-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2010-07-06 US disclosed
US-20080280899-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2008-11-13 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-20080280899-A1 Inhibitors of Akt Activity AKT1, AKT2, AKT3 RAB9A 3792/4885SMN1; SMN2 4027/4885NPC1 1455/4885

“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.