SCHEMBL3944765

SCHEMBL3944765

C=CCOc1cccc(C(C)=O)c1OCC=C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIG1 P18858 1/20 0.54
CYP3A4 P08684 2/20 0.47
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 5/20 0.44
GAA P10253 2/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
HPGD P15428 3/20 0.43
TSHR P16473 3/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPK1 P28482 1/20 0.42
CXCR5 P32302 1/20 0.42
CYP2A6 P11509 1/20 0.41
HSP90AA1 P07900 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
SCHEMBL28065146 0.91 KDM4E (0.54) LIG1CYP3A4SMN1; SMN2NPC1RAB9A
SCHEMBL9774243 0.86 LIG1 (0.55) LIG1CYP3A4SMN1; SMN2NPC1RAB9A
SCHEMBL1319409 0.85 LIG1 (0.67) LIG1CYP3A4SMN1; SMN2KDM4EGAA
SCHEMBL13598324 0.85 LIG1 (0.46) LIG1CYP3A4SMN1; SMN2NPC1RAB9A
SCHEMBL3937140 0.85 LIG1 (0.55) LIG1CYP3A4SMN1; SMN2NPC1RAB9A
SCHEMBL3942606 0.84 LIG1 (0.54) LIG1CYP3A4SMN1; SMN2KDM4EGAA
SCHEMBL13400836 0.84 LIG1 (0.54) LIG1CYP3A4SMN1; SMN2NPC1RAB9A
SCHEMBL4343007 0.84 CYP3A4 (0.47) LIG1CYP3A4SMN1; SMN2NPC1RAB9A
SCHEMBL2470333 0.81 LIG1 (0.54) LIG1CYP3A4SMN1; SMN2NPC1RAB9A
SCHEMBL5239239 0.80 MAPK1 (0.66) LIG1SMN1; SMN2NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090326223-A1 SYNTHESIS OF 2-AMINO-SUBSTITUTED 4-OXO-4H-CHROMEN-8.YL-TRIFLUORO-METHANESULFONIC ACID ESTERS THE UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2009-12-31 US disclosed
US-20090326223-A1 SYNTHESIS OF 2-AMINO-SUBSTITUTED 4-OXO-4H-CHROMEN-8.YL-TRIFLUORO-METHANESULFONIC ACID ESTERS THE UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2009-12-31 US disclosed
US-20090326223-A1 SYNTHESIS OF 2-AMINO-SUBSTITUTED 4-OXO-4H-CHROMEN-8.YL-TRIFLUORO-METHANESULFONIC ACID ESTERS THE UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2009-12-31 US disclosed
EP-2046768-A1 SYNTHESIS OF 2-AMINO-SUBSTITUTED 4-OXO-4H-CHROMEN-8.YL-TRIFLUORO-METHANESULFONIC ACID ESTERS Kudos Pharmaceuticals Limited (GB) 2009-04-15 EP disclosed
WO-2008009934-A1 SYNTHESIS OF 2-AMINO-SUBSTITUTED 4-OXO-4H-CHROMEN-8.YL-TRIFLUORO-METHANESULFONIC ACID ESTERS KUDOS PHARMACEUTICALS LIMITED (GB) 2008-01-24 WO disclosed
WO-2008009934-A1 SYNTHESIS OF 2-AMINO-SUBSTITUTED 4-OXO-4H-CHROMEN-8.YL-TRIFLUORO-METHANESULFONIC ACID ESTERS KUDOS PHARMACEUTICALS LIMITED (GB) 2008-01-24 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-20090326223-A1 SYNTHESIS OF 2-AMINO-SUBSTITUTED 4-OXO-4H-CHROMEN-8.YL-TRIFLUORO-METHANESULFONIC ACID ESTERS XRN2, ASNS, CYP2B6 LIG1 499/4885CYP3A4 106/4885SMN1; SMN2 577/4885

“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.