SCHEMBL13435290

SCHEMBL13435290

O=CNCCc1ccc(CO)c(O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
HIF1A Q16665 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
THPO P40225 1/20 0.41
ADRB2 P07550 5/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL13435519 0.87 ADRB2 (0.50) MAPTHIF1AHSD17B10TP53CYP1A2
SCHEMBL31076394 0.83 MAPT (0.59) MAPTHIF1AHSD17B10TP53CYP1A2
SCHEMBL6815570 0.83 MAPT (0.59) MAPTHIF1AHSD17B10TP53CYP1A2
SCHEMBL14756824 0.78 MAPT (0.68) MAPTHIF1AHSD17B10TP53CYP1A2
SCHEMBL14756898 0.76 KDM4E (0.71) MAPTHIF1AHSD17B10PTGS2KDM4E
SCHEMBL1936524 0.75 CYP1A2 (0.58) CYP1A2ALOX15TSHRNFKB1ADRB2
SCHEMBL9971277 0.75 CYP1A2 (0.40) MAPTHIF1AHSD17B10TP53CYP1A2
SCHEMBL15981472 0.74 LMNA (0.48) MAPTHIF1AHSD17B10TP53CYP1A2
SCHEMBL8763412 0.74 LMNA (0.50) MAPTLMNASMN1; SMN2GAA
SCHEMBL12432428 0.73 MAPT (0.63) MAPTHIF1AHSD17B10TP53CYP1A2

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-20100087475-A1 PHARMACEUTICAL COMPOUNDS Biovali Laboratories International (Barbados) S.R.L. (BB) 2010-04-08 US disclosed
WO-2010026436-A2 PHARMACEUTICAL COMPOUNDS BIOVAIL LABORATORIES INTERNATIONAL (BARBADOS) SRL (BB) 2010-03-11 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-20100087475-A1 PHARMACEUTICAL COMPOUNDS UGT2B7, CYP3A7, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 MAPT 1579/4885HIF1A 2014/4885HSD17B10 398/4885

“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.