SCHEMBL3862006

SCHEMBL3862006

COc1cc(/C=C/C(=O)C(C)C(=O)C(C)(C)C)ccc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.63
MMP13 P45452 2/20 0.63
MMP2 P08253 2/20 0.63
MMP8 P22894 1/20 0.63
APP P05067 6/20 0.63
MAPT P10636 4/20 0.63
CYP2D6 P10635 3/20 0.63
BACE1 P56817 3/20 0.63
CYP2C9 P11712 2/20 0.63
TSHR P16473 2/20 0.63
HSD17B10 Q99714 2/20 0.63
CYP1A2 P05177 2/20 0.63
ALOX5 P09917 2/20 0.63
NFKB1 P19838 2/20 0.63
HSD11B1 P28845 2/20 0.63
STAT3 P40763 2/20 0.63
NFKB2 Q00653 2/20 0.63
RELA Q04206 2/20 0.63
NFE2L2 Q16236 2/20 0.63
KDM4E B2RXH2 2/20 0.63

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
SCHEMBL3862013 1.00 MMP9 (0.63) MMP9MMP13MMP2MMP8APP
SCHEMBL5598941 0.89 APP (0.73) MMP9MMP13MMP2MMP8APP
SCHEMBL5598945 0.89 APP (0.73) MMP9MMP13MMP2MMP8APP
SCHEMBL12088589 0.84 MMP9 (0.72) MMP9MMP13MMP2MMP8APP
SCHEMBL3855730 0.81 KMT2A (0.52) MMP9MMP13MMP2MMP8APP
SCHEMBL3855728 0.81 KMT2A (0.52) MMP9MMP13MMP2MMP8APP
SCHEMBL10001150 0.81 KMT2A (0.78) MMP9MMP13MMP2MMP8APP
SCHEMBL3858965 0.80 APP (0.64) MMP9MMP13MMP2MMP8APP
SCHEMBL3858963 0.80 APP (0.64) MMP9MMP13MMP2MMP8APP
SCHEMBL30504665 0.80 MMP9 (0.71) MMP9MMP13MMP2MMP8APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589123-B2 Chemical compounds PHYTOPHARM PLC (GB) 2009-09-15 US claimed
US-7589123-B2 Chemical compounds PHYTOPHARM PLC (GB) 2009-09-15 US disclosed
CN-101511350-A Dioxo-alkanes and dioxo-alkenes PHYTOPHARM PLC (GB) 2009-08-19 CN disclosed
US-20080045591-A1 Chemical Compounds VECTURA LIMITED (GB) 2008-02-21 US 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-20080045591-A1 Chemical Compounds CYP11B1, CYP11B2, CYP2S1 MMP9 2828/4885MMP13 4086/4885MMP2 4449/4885

“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.