SCHEMBL6299640

SCHEMBL6299640

COC(=O)c1ccccc1OCc1c(O[C@@](C)(c2ccccc2)c2ncc[nH]2)ccc2c1CCCC2=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.36
LTB4R2 Q9NPC1 3/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
TSHR P16473 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
HTR1A P08908 1/20 0.35
ADRB3 P13945 1/20 0.35
SLC6A4 P31645 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
BRD4 O60885 4/20 0.34
ALDH1A1 P00352 1/20 0.33
PDE5A O76074 1/20 0.33
VDR P11473 1/20 0.33
SGMS2 Q8NHU3 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
SCHEMBL6301005 0.87 PKM (0.35) LTB4RLTB4R2TSHRKMT2AADRB2
SCHEMBL6306156 0.87 CYSLTR1 (0.40) LTB4RLTB4R2MRGPRX4BRD4VDR
SCHEMBL6301972 0.87 LTB4R (0.37) LTB4RLTB4R2MRGPRX4TSHRADRB2
SCHEMBL6299367 0.87 LTB4R (0.35) LTB4RLTB4R2MRGPRX4TSHRADRB2
SCHEMBL6300943 0.86 BRD4 (0.35) LTB4RLTB4R2MRGPRX4TSHRADRB2
SCHEMBL6302244 0.86 BRD4 (0.35) LTB4RLTB4R2MRGPRX4TSHRADRB2
SCHEMBL6307052 0.86 BRD4 (0.37) LTB4RLTB4R2MRGPRX4TSHRKMT2A
SCHEMBL6948373 0.85 BRD4 (0.35) LTB4RLTB4R2MRGPRX4TSHRADRB2
SCHEMBL6301258 0.85 NISCH (0.35) LTB4RLTB4R2MRGPRX4TSHRADRB2
SCHEMBL6301895 0.85 NISCH (0.35) LTB4RLTB4R2MRGPRX4TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase WARNER-LAMBERT COMPANY 2004-03-04 US 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

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 LTB4R 1427/4885LTB4R2 2051/4885MRGPRX4 2787/4885

“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.