SCHEMBL3937140

SCHEMBL3937140

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIG1 P18858 1/20 0.55
KDM4E B2RXH2 5/20 0.48
POLB P06746 1/20 0.48
ADRB2 P07550 2/20 0.47
ADRB1 P08588 2/20 0.47
ADRB3 P13945 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CYP3A4 P08684 1/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
HSP90AA1 P07900 1/20 0.45
HTT P42858 1/20 0.45
CXCR5 P32302 2/20 0.43
BLM P54132 1/20 0.43
GAA P10253 2/20 0.43
SLC6A3 Q01959 1/20 0.41
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL28299986 0.93 KDM4E (0.56) LIG1KDM4EPOLBADRB2ADRB1
SCHEMBL10389427 0.91 CYP3A4 (0.50) LIG1KDM4EPOLBADRB2ADRB1
SCHEMBL15813878 0.88 LIG1 (0.46) LIG1KDM4EPOLBADRB2ADRB1
SCHEMBL30195826 0.86 LIG1 (0.68) LIG1KDM4EADRB2ADRB1ADRB3
SCHEMBL385145 0.86 LIG1 (0.68) LIG1KDM4EADRB2ADRB1ADRB3
SCHEMBL11239113 0.85 LIG1 (0.55) LIG1KDM4EPOLBADRB2ADRB1
SCHEMBL2431626 0.85 LIG1 (0.55) LIG1KDM4EPOLBADRB2ADRB1
SCHEMBL3944765 0.85 LIG1 (0.54) LIG1KDM4EPOLBADRB2ADRB1
SCHEMBL20415950 0.84 BLM (0.45) LIG1KDM4EPOLBADRB2ADRB1
SCHEMBL20471918 0.84 LIG1 (0.47) LIG1KDM4EPOLBADRB2ADRB1

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 499/4885KDM4E 2800/4885POLB 2607/4885

“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.