SCHEMBL6180224

SCHEMBL6180224

COc1ccc(CCO)c(Oc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.47
CYP2D6 P10635 1/20 0.46
TSPO P30536 5/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CAMK2A Q9UQM7 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTR2A P28223 2/20 0.43
SLC6A4 P31645 2/20 0.43
KCNH2 Q12809 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ABCB1 P08183 1/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
HRH1 P35367 1/20 0.42

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
SCHEMBL48353 0.83 APLNR (0.59) CYP2D6MEN1KMT2AHSD17B10HTR2A
SCHEMBL6175515 0.80 CAMK2A (0.68) TSPOMEN1KMT2ACAMK2AKDM4E
SCHEMBL1067253 0.78 HRH1 (0.67) LTA4HHTR2ASLC6A4HRH1
SCHEMBL6179348 0.78 CAMK2A (0.54) TSPOMEN1KMT2ACAMK2AKDM4E
SCHEMBL6177244 0.77 TTR (0.47) LTA4HTSPOMEN1KMT2ACAMK2A
SCHEMBL1145887 0.76 ADRA1A (0.68) CYP2D6HSD17B10HTR2A
SCHEMBL6715075 0.75 CYP2D6 (0.51) CYP2D6POLBHSD17B10
SCHEMBL2093112 0.75 LTA4H (0.55) LTA4HCAMK2AHRH1
SCHEMBL7446643 0.74 HTR6 (0.53) KDM4ESLC6A4KCNH2SMN1; SMN2HTR1A
SCHEMBL11015595 0.74 CA12 (0.65) LTA4HCYP2D6MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1061921-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-03-30 EP disclosed
US-20020147334-A1 Vitronectin Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2002-10-10 US disclosed
EP-1061921-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-27 EP disclosed
WO-1999045927-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-09-16 WO 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-20020147334-A1 Vitronectin Receptor Antagonists ADGRF1, FN1, CALCR LTA4H 863/4885CYP2D6 2697/4885TSPO 3463/4885

“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.