SCHEMBL3459380

SCHEMBL3459380

C/C=C(/C(=O)O)c1ccccc1CCl

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.37
ALDH1A1 P00352 5/20 0.35
ALOX15 P16050 1/20 0.35
AKR1C1 Q04828 1/20 0.35
ERCC5 P28715 2/20 0.35
FEN1 P39748 2/20 0.35
CLCN2 P51788 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TRPA1 O75762 1/20 0.34
MAPK1 P28482 1/20 0.34
GSK3B P49841 1/20 0.34
HIF1A Q16665 1/20 0.34
TSHR P16473 2/20 0.34
HTT P42858 2/20 0.34
TP53 P04637 1/20 0.34
CTBP2 P56545 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL5998860 1.00 FOLH1 (0.37) FOLH1ALDH1A1ALOX15AKR1C1ERCC5
SCHEMBL3459377 0.83 CA12 (0.36) FOLH1ALDH1A1L3MBTL1HIF1ATSHR
SCHEMBL5998857 0.83 CA12 (0.36) FOLH1ALDH1A1L3MBTL1HIF1ATSHR
SCHEMBL5998853 0.83 CA12 (0.36) FOLH1ALDH1A1L3MBTL1HIF1ATSHR
SCHEMBL3459412 0.82 FOLH1 (0.37) FOLH1ALDH1A1ALOX15AKR1C1ERCC5
SCHEMBL7459530 0.82 FOLH1 (0.37) FOLH1ALDH1A1ALOX15AKR1C1ERCC5
SCHEMBL5997915 0.81 HPGD (0.41) ALDH1A1L3MBTL1HIF1ATSHRLMNA
SCHEMBL5997805 0.81 TSHR (0.38) ALDH1A1CLCN2L3MBTL1TSHRHTT
SCHEMBL9021457 0.79 HDAC3 (0.40) ALDH1A1HIF1ATSHRHTTTP53
SCHEMBL9021460 0.79 HDAC3 (0.40) ALDH1A1HIF1ATSHRHTTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1683792-B9 BENZOPYRONE COMPOUNDS, PREPARATION METHOD AND USE THEREOF SHENYANG SINOCHEM AGROCHEMICALS R & D CO LTD (CN) 2016-10-05 EP disclosed
EP-1683792-B1 BENZOPYRONE COMPOUNDS, PREPARATION METHOD AND USE THEREOF SHENYANG SINOCHEM AGROCHEMICALS R & D CO LTD (CN) 2016-07-20 EP disclosed
US-7642364-B2 Benzopyrone compounds, preparation method and use thereof SHENYANG RESEARCH INSTITUTE OF CHEMICAL INDUSTRY (CN) 2010-01-05 US disclosed
US-20070037876-A1 good insecticide activity against armyworm, diamond backmoth, aphids, carmine spider mite, two-spotted spider mite, lady beetles, mites and culex mosquitoes, especially for lady beetles and culex mosquitoes; wide spectrum fungicidal activity SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2007-02-15 US disclosed
EP-1683792-A1 BENZOPYRONE COMPOUNDS, PREPARATION METHOD AND USE THEREOF Shenyang Research Institute of Chemical Industry (CN) 2006-07-26 EP 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-20070037876-A1 good insecticide activity against armyworm, diamond backmoth, aphids, carmine spider mite, two-spotted spider mite, lady beetles, mites and culex mosquitoes, especially for lady beetles and culex mosquitoes; wide spectrum fungicidal activity DDT, BROX, LRRK2 FOLH1 3874/4885ALDH1A1 2701/4885ALOX15 2430/4885

“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.