SCHEMBL6301106

SCHEMBL6301106

O=C1CCCc2c1ccc(O)c2-c1ccc2c(c1)OCO2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.52
ALOX5 P09917 5/20 0.43
MAPT P10636 3/20 0.43
HTT P42858 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
PTGS2 P35354 3/20 0.43
HSD17B10 Q99714 2/20 0.43
PTGS1 P23219 2/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
PTPRC P08575 1/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
GAA P10253 2/20 0.43
GAPDH P04406 1/20 0.43

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
SCHEMBL6302072 0.81 BRD4 (0.52) BRD4ALOX5MAPTHTTRAB9A
SCHEMBL6299599 0.76 HDAC4 (0.46) BRD4ALOX5MAPTHTTRAB9A
SCHEMBL22117135 0.75 ALOX5 (0.45) BRD4ALOX5MAPTHTTRAB9A
SCHEMBL2886044 0.71 MAPT (0.42) BRD4MAPTHTTRAB9ASMN1; SMN2
SCHEMBL15328790 0.68 BRD4 (1.00) BRD4
SCHEMBL8082307 0.68 ALOX5 (0.47) BRD4ALOX5RAB9AKDM4EALDH1A1
SCHEMBL9521410 0.67 ACHE (0.53) BRD4MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL6067972 0.67 CYP3A4 (0.66) ALOX5MAPTHTTRAB9ASMN1; SMN2
SCHEMBL20541629 0.66 NPC1 (0.56) ALOX5MAPTHTTRAB9ASMN1; SMN2
SCHEMBL9827612 0.66 PSMB5 (0.41) ALOX5MAPTHTTRAB9ASMN1; SMN2

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 BRD4 2102/4885ALOX5 756/4885MAPT 3013/4885

“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.