SCHEMBL14015693

SCHEMBL14015693

O=C(NC1CC(OCc2ccccc2)C1)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
GAA P10253 1/20 0.62
TSHR P16473 1/20 0.59
EPHX1 P07099 1/20 0.56
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
CTSK P43235 1/20 0.53
TLR4 O00206 1/20 0.52
CPB1 P15086 2/20 0.50
HSD11B1 P28845 1/20 0.48
KDM1A O60341 1/20 0.48
MAOB P27338 1/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
ACHE P22303 2/20 0.48
DPP4 P27487 1/20 0.48
KCNH2 Q12809 1/20 0.48
DPP7 Q9UHL4 1/20 0.48

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
SCHEMBL14015695 1.00 ALDH1A1 (0.62) ALDH1A1GAATSHREPHX1CTSL
SCHEMBL30381768 0.87 ALDH1A1 (0.48) ALDH1A1GAATSHREPHX1CTSL
SCHEMBL2633999 0.86 EPHX2 (0.51) ALDH1A1GAATSHRCTSLCTSB
SCHEMBL2634094 0.86 EPHX2 (0.51) ALDH1A1GAATSHRCTSLCTSB
SCHEMBL27150793 0.86 ALDH1A1 (0.63) ALDH1A1GAATSHREPHX1CTSL
SCHEMBL27150792 0.86 ALDH1A1 (0.63) ALDH1A1GAATSHREPHX1CTSL
SCHEMBL30061637 0.85 ALDH1A1 (0.62) ALDH1A1GAATSHREPHX1CTSL
SCHEMBL25829252 0.85 ALDH1A1 (0.62) ALDH1A1GAATSHREPHX1CTSL
SCHEMBL31572087 0.85 ALDH1A1 (0.62) ALDH1A1GAATSHREPHX1CTSL
SCHEMBL17791355 0.85 ALDH1A1 (0.78) ALDH1A1GAATSHREPHX1CTSL

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-20080275251-A1 Novel Intermediates and Their Use GLAXO GROUP LIMITED (GB) 2008-11-06 US disclosed
US-20080275251-A1 Novel Intermediates and Their Use GLAXO GROUP LIMITED (GB) 2008-11-06 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-20080275251-A1 Novel Intermediates and Their Use PLEC, NISCH, ALK ALDH1A1 890/4885GAA 3472/4885TSHR 4246/4885

“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.