SCHEMBL6300208

SCHEMBL6300208

COc1cccc(C2=NC(C)(C)CO2)c1CC(C)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KCNH2 Q12809 2/20 0.36
ATM Q13315 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2D6 P10635 1/20 0.34
HTR7 P34969 1/20 0.34
HTT P42858 1/20 0.34
MAOA P21397 3/20 0.34
MAOB P27338 3/20 0.34
NISCH Q9Y2I1 3/20 0.34
BCHE P06276 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL4764909 0.83 KDM4E (0.37) KDM4EATMALDH1A1CYP2D6HTT
SCHEMBL9364445 0.81 KDM4E (0.43) KDM4EATMALDH1A1CYP2D6HTR7
SCHEMBL7865985 0.79 KDM4E (0.44) KDM4EATMALDH1A1HTTHRH3
SCHEMBL29527964 0.78 KDM4E (0.50) KDM4EATML3MBTL1ALDH1A1HTT
SCHEMBL540 0.78 KDM4E (0.50) KDM4EATML3MBTL1ALDH1A1HTT
SCHEMBL22560182 0.77 KDM4E (0.43) KDM4EATMALDH1A1HTTHRH3
SCHEMBL7105642 0.76 KDM4E (0.47) KDM4EATMALDH1A1HTTHRH3
SCHEMBL10737493 0.75 KDM4E (0.47) KDM4EATML3MBTL1ALDH1A1HTR7
SCHEMBL11487649 0.75 KDM4E (0.46) KDM4EATML3MBTL1ALDH1A1HTT
SCHEMBL9702416 0.74 KDM4E (0.50) KDM4EATMALDH1A1HTTHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6943183-B2 5-substituted tetralones as inhibitors of ras farnesyl transferase PFIZER INC (US) 2005-09-13 US disclosed
US-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase WARNER-LAMBERT COMPANY 2004-03-04 US disclosed
EP-1276725-A2 5-SUBSTITUTED TETRALONES AS INHIBITORS OF RAS FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 2003-01-22 EP disclosed
WO-2001079180-A2 5-SUBSTITUTED TETRALONES AS INHIBITORS OF RAS FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 2001-10-25 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-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase PTAR1, FNTA, GGPS1 KDM4E 2646/4885SLC6A2 3586/4885SLC6A4 3799/4885

“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.