SCHEMBL6301973

SCHEMBL6301973

CCc1ccc(OCc2c(O[C@@](C)(c3ccccc3)c3ncc[nH]3)ccc3c2CCCC3=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.35
MAOB P27338 4/20 0.35
LTB4R Q15722 3/20 0.34
LTB4R2 Q9NPC1 3/20 0.34
PPARD Q03181 3/20 0.33
PPARA Q07869 2/20 0.33
BRD4 O60885 4/20 0.33
MAPT P10636 3/20 0.33
PPARG P37231 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
SOD1 P00441 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
SCHEMBL6302039 0.94 LTB4R (0.35) MAOAMAOBLTB4RLTB4R2BRD4
SCHEMBL6307052 0.93 BRD4 (0.37) MAOAMAOBLTB4RLTB4R2BRD4
SCHEMBL6307914 0.92 PPARD (0.34) MAOAMAOBLTB4RLTB4R2PPARD
SCHEMBL6300976 0.92 MAOA (0.34) MAOAMAOBLTB4RLTB4R2PPARD
SCHEMBL6306046 0.92 BRD4 (0.35) MAOAMAOBLTB4RLTB4R2BRD4
SCHEMBL6299516 0.92 MAOA (0.37) MAOAMAOBLTB4RLTB4R2BRD4
SCHEMBL6300104 0.91 MAOA (0.35) MAOAMAOBLTB4RLTB4R2PPARD
SCHEMBL6301748 0.91 MAOA (0.37) MAOAMAOBLTB4RLTB4R2BRD4
SCHEMBL6307756 0.91 MAOA (0.36) MAOAMAOBLTB4RLTB4R2BRD4
SCHEMBL6299535 0.91 MAOA (0.36) MAOAMAOBLTB4RLTB4R2PPARD

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 MAOA 3197/4885MAOB 2947/4885LTB4R 1427/4885

“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.