SCHEMBL6300976

SCHEMBL6300976

COc1ccc(OCc2c(O[C@@](C)(c3ccccc3)c3ncc[nH]3)ccc3c2CCCC3=O)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
BRD4 O60885 6/20 0.33
LTB4R Q15722 3/20 0.33
LTB4R2 Q9NPC1 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE10A Q9Y233 1/20 0.32
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PTGER1 P34995 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
SCHEMBL6307052 0.95 BRD4 (0.37) MAOAMAOBBRD4LTB4RLTB4R2
SCHEMBL6307211 0.94 MAOA (0.33) MAOAMAOBBRD4LTB4RLTB4R2
SCHEMBL6299516 0.93 MAOA (0.37) MAOAMAOBBRD4LTB4RLTB4R2
SCHEMBL6306046 0.93 BRD4 (0.35) MAOAMAOBBRD4LTB4RLTB4R2
SCHEMBL6302039 0.93 LTB4R (0.35) MAOAMAOBBRD4LTB4RLTB4R2
SCHEMBL6301296 0.93 BRD4 (0.36) MAOAMAOBBRD4LTB4RLTB4R2
SCHEMBL6307756 0.93 MAOA (0.36) MAOAMAOBBRD4LTB4RLTB4R2
SCHEMBL6299535 0.93 MAOA (0.36) MAOAMAOBBRD4LTB4RLTB4R2
SCHEMBL6301973 0.92 MAOA (0.35) MAOAMAOBBRD4LTB4RLTB4R2
SCHEMBL6307829 0.92 MAOA (0.40) MAOAMAOBBRD4LTB4RLTB4R2

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 2 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

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 MAOA 3197/4885MAOB 2947/4885BRD4 2102/4885

“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.