SCHEMBL9606822

SCHEMBL9606822

Cc1ccc(C(C)C)c2c1COC2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
NUAK1 O60285 1/20 0.39
IGF1R P08069 1/20 0.39
MET P08581 1/20 0.39
PIM1 P11309 1/20 0.39
SRC P12931 1/20 0.39
AXL P30530 1/20 0.39
AKT1 P31749 1/20 0.39
KDR P35968 1/20 0.39
NEK2 P51955 1/20 0.39
PLK1 P53350 1/20 0.39
PTK2 Q05397 1/20 0.39
PKN1 Q16512 1/20 0.39
AURKB Q96GD4 1/20 0.39
NEK6 Q9HC98 1/20 0.39
ALK Q9UM73 1/20 0.39
GPR55 Q9Y2T6 2/20 0.38
KCNJ1 P48048 7/20 0.38
KCNH2 Q12809 5/20 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
SCHEMBL9604657 0.87 NUAK1 (0.38) MAOAMAOBNUAK1IGF1RMET
SCHEMBL14849268 0.86 NUAK1 (0.39) MAOAMAOBNUAK1IGF1RMET
SCHEMBL3417433 0.81 MAOA (0.49) MAOAMAOBNUAK1IGF1RMET
SCHEMBL20930868 0.73 KCNJ1 (0.38) MAOBNUAK1IGF1RMETPIM1
SCHEMBL15964291 0.72 KCNJ1 (0.61) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL18704855 0.72 KCNJ1 (0.38) MAOAMAOBNUAK1IGF1RMET
SCHEMBL26898428 0.71 KDM4E (0.44) MAOAMAOBMAPTCYP3A4SMN1; SMN2
SCHEMBL9604655 0.71 NUAK1 (0.34) NUAK1IGF1RMETPIM1SRC
SCHEMBL20282994 0.69 GPR55 (0.38) GPR55CNR2MAPTCRHBPCRHR2
SCHEMBL12553039 0.68 NUAK1 (0.41) MAOAMAOBNUAK1IGF1RMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135980-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-05-31 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-20120135980-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP MAOA 1348/4885MAOB 1322/4885NUAK1 2421/4885

“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.