SCHEMBL6301959

SCHEMBL6301959

CC(Oc1ccc2c(c1CCc1ccccc1)CCCC2=O)(c1cccnc1)c1ncc[nH]1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.38
LTB4R Q15722 3/20 0.36
LTB4R2 Q9NPC1 3/20 0.36
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
CYP11B1 P15538 3/20 0.32
CYP11B2 P19099 3/20 0.32
KMT2A Q03164 1/20 0.31
KCNA5 P22460 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31

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
SCHEMBL6299673 0.94 LTB4R (0.39) BRD4LTB4RLTB4R2ADORA2BADORA1
SCHEMBL6307035 0.92 LTB4R (0.37) BRD4LTB4RLTB4R2ADORA2BADORA1
SCHEMBL6300959 0.89 LTB4R (0.38) BRD4LTB4RLTB4R2ADORA2BADORA1
SCHEMBL6299727 0.87 LTB4R (0.37) BRD4LTB4RLTB4R2MAOAMAOB
SCHEMBL6306125 0.86 LTB4R (0.47) BRD4LTB4RLTB4R2HTR1A
SCHEMBL6306132 0.86 LTB4R (0.47) BRD4LTB4RLTB4R2HTR1A
SCHEMBL6300110 0.86 LTB4R (0.35) BRD4LTB4RLTB4R2MAOAMAOB
SCHEMBL6302034 0.86 BRD4 (0.38) BRD4LTB4RLTB4R2HTR1A
SCHEMBL6299574 0.85 LTB4R (0.34) BRD4LTB4RLTB4R2MAOAMAOB
SCHEMBL6306052 0.85 LTB4R (0.37) BRD4LTB4RLTB4R2MRGPRX4HTR1A

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 8 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 claimed
US-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase WARNER-LAMBERT COMPANY 2004-03-04 US claimed
EP-1276725-A2 5-SUBSTITUTED TETRALONES AS INHIBITORS OF RAS FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 2003-01-22 EP claimed
WO-2001079180-A2 5-SUBSTITUTED TETRALONES AS INHIBITORS OF RAS FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 2001-10-25 WO claimed
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 BRD4 2102/4885LTB4R 1427/4885LTB4R2 2051/4885

“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.