SCHEMBL13435519

SCHEMBL13435519

O=CNCCc1ccc(O)c(CO)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 15/20 0.50
PKM P14618 1/20 0.44
ADRB3 P13945 1/20 0.43
BACE1 P56817 1/20 0.42
ADRB1 P08588 4/20 0.42
ADRA1D P25100 1/20 0.42
MAPT P10636 2/20 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
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 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
SCHEMBL13435290 0.87 MAPT (0.41) ADRB2ADRB3BACE1ADRB1MAPT
SCHEMBL31076394 0.83 MAPT (0.59) ADRB2BACE1ADRB1ADRA1DMAPT
SCHEMBL6815570 0.83 MAPT (0.59) ADRB2BACE1ADRB1ADRA1DMAPT
SCHEMBL14547742 0.81 PKM (0.47) ADRB2PKMADRB3BACE1MAPT
Sulfuric Acid SCHEMBL11881313 0.80 ADRB2 (0.55) ADRB2ADRB3ADRB1ADORA3CHRM1
SCHEMBL20285903 0.78 MAPT (0.68) ADRB2PKMBACE1MAPTHIF1A
SCHEMBL10559921 0.76 ADRB2 (0.74) ADRB2ADRB3ADRB1ADRA1DTP53
SCHEMBL9971238 0.75 ALOX5 (0.42) ADRB2MAPTHIF1AHSD17B10TP53
SCHEMBL1548853 0.75 ALOX5 (0.60) TSHRNFKB1MAPK1ALDH1A1LMNA
SCHEMBL10450798 0.75 KDM4E (0.65) ADRB2PKMBACE1ADRA1DMAPT

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 ADRB2 91/4885PKM 2022/4885ADRB3 77/4885

“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.