SCHEMBL3944635

SCHEMBL3944635

C=CCOc1cccc(C=O)c1OCC=C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.44
CYP2A6 P11509 1/20 0.44
LIG1 P18858 1/20 0.43
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 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
SCHEMBL16161550 0.91 SMN1; SMN2 (0.49) HPGDTSHRMAPK1HSD17B10SMN1; SMN2
SCHEMBL26731689 0.89 CA1 (0.50) HPGDTSHRMAPK1HSD17B10SMN1; SMN2
SCHEMBL14172740 0.89 KDM4E (0.60) HPGDTSHRMAPK1HSD17B10SMN1; SMN2
SCHEMBL1482988 0.84 ALDH1A1 (0.68) HPGDTSHRMAPK1HSD17B10SMN1; SMN2
SCHEMBL29690311 0.84 ALDH1A1 (0.68) HPGDTSHRMAPK1HSD17B10SMN1; SMN2
SCHEMBL1628363 0.83 TSHR (0.50) HPGDTSHRMAPK1HSD17B10SMN1; SMN2
SCHEMBL23748226 0.81 ALDH1A1 (0.46) HPGDTSHRMAPK1HSD17B10SMN1; SMN2
SCHEMBL16149262 0.81 ERN1 (0.44) HPGDTSHRMAPK1HSD17B10SMN1; SMN2
SCHEMBL30593089 0.81 ALDH1A1 (0.46) HPGDTSHRMAPK1HSD17B10SMN1; SMN2
SCHEMBL11293049 0.81 CXCR5 (0.43) HPGDTSHRMAPK1HSD17B10SMN1; SMN2

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 HPGD 2681/4885TSHR 1437/4885MAPK1 553/4885

“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.