SCHEMBL6301799

SCHEMBL6301799

COc1ccc2c(c1)C(c1ccccc1)CCC2=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.53
KDM4E B2RXH2 2/20 0.51
MAOB P27338 3/20 0.50
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
ABCB1 P08183 1/20 0.47
AR P10275 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
KDM1A O60341 2/20 0.45
MAOA P21397 2/20 0.45
DDB1 Q16531 2/20 0.45
CRBN Q96SW2 2/20 0.45
GID4 Q8IVV7 1/20 0.45
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
CYP27A1 Q02318 1/20 0.43
CYP24A1 Q07973 1/20 0.43

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
SCHEMBL570649 0.87 KDM4E (0.67) CYP19A1KDM4EMAOBSLC6A2SLC6A4
SCHEMBL6300145 0.86 DDB1 (0.46) CYP19A1KDM4EMAOBKDM1AMAOA
SCHEMBL28644751 0.83 CYP19A1 (0.45) CYP19A1KDM4EMAOBKDM1AMAOA
SCHEMBL2820430 0.83 DDB1 (0.51) CYP19A1KDM4EMAOBMAOADDB1
SCHEMBL10724534 0.82 GID4 (0.60) CYP19A1DDB1CRBNGID4HTT
SCHEMBL8920465 0.81 CYP19A1 (0.50) CYP19A1KDM4EMAOBSLC6A2SLC6A4
SCHEMBL31598940 0.80 DDB1 (0.51) CYP19A1KDM4EMAOBDDB1CRBN
SCHEMBL10069796 0.80 MAP2K3 (0.59) CYP19A1KDM4EMAOBLMNAGAA
SCHEMBL28645480 0.79 MAOB (0.57) MAOBKDM1AMAOA
SCHEMBL8919310 0.78 CYP19A1 (0.46) CYP19A1KDM4EMAOBARKDM1A

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 CYP19A1 962/4885KDM4E 2646/4885MAOB 2947/4885

“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.