SCHEMBL6301296

SCHEMBL6301296

COc1cccc(OCc2c(O[C@@](C)(c3ccccc3)c3ncc[nH]3)ccc3c2CCCC3=O)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.36
MAOB P27338 3/20 0.34
MAOA P21397 2/20 0.34
FFAR1 O14842 1/20 0.33
HPD P32754 3/20 0.33
LTB4R Q15722 2/20 0.32
LTB4R2 Q9NPC1 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
POLB P06746 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
MRGPRX4 Q96LA9 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
GLA P06280 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 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
SCHEMBL6307211 0.95 MAOA (0.33) BRD4MAOBMAOALTB4RLTB4R2
SCHEMBL6300294 0.93 SOD1 (0.39) BRD4MAOBMAOAHPDLTB4R
SCHEMBL6300976 0.93 MAOA (0.34) BRD4MAOBMAOAFFAR1LTB4R
SCHEMBL6307052 0.93 BRD4 (0.37) BRD4MAOBMAOALTB4RLTB4R2
SCHEMBL6300288 0.92 BRD4 (0.38) BRD4MAOBMAOAHPDLTB4R
SCHEMBL6300790 0.91 MAOB (0.39) BRD4MAOBMAOAFFAR1HPD
SCHEMBL6300122 0.91 MAOB (0.39) BRD4MAOBMAOAFFAR1HPD
SCHEMBL6301748 0.91 MAOA (0.37) BRD4MAOBMAOAHPDLTB4R
SCHEMBL6306156 0.90 CYSLTR1 (0.40) BRD4HPDLTB4RLTB4R2MRGPRX4
SCHEMBL6299621 0.90 BRD4 (0.35) BRD4MAOBMAOAHPDLTB4R

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

“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.