SCHEMBL3856837

SCHEMBL3856837

COc1cc(C=CC(=O)CC(=O)c2ccc(O)c(OC)c2)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 3/20 1.00
ALOX5 P09917 2/20 1.00
STAT3 P40763 2/20 1.00
NFKB2 Q00653 2/20 1.00
RELA Q04206 2/20 1.00
APP P05067 11/20 0.82
MAPT P10636 10/20 0.82
BACE1 P56817 5/20 0.82
MMP9 P14780 4/20 0.82
CYP2D6 P10635 2/20 0.82
CYP2C9 P11712 2/20 0.82
TSHR P16473 2/20 0.82
HSD17B10 Q99714 2/20 0.82
ABCB1 P08183 2/20 0.82
AKR1B1 P15121 2/20 0.82
MAOA P21397 2/20 0.82
MAOB P27338 2/20 0.82
HDAC3 O15379 2/20 0.82
HDAC1 Q13547 2/20 0.82
HDAC2 Q92769 2/20 0.82

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
SCHEMBL3856831 1.00 NFKB1 (1.00) NFKB1ALOX5STAT3NFKB2RELA
Curcumin SCHEMBL27852357 0.92 APP (0.97) NFKB1ALOX5STAT3NFKB2RELA
SCHEMBL3855700 0.91 NFKB1 (0.84) NFKB1ALOX5STAT3NFKB2RELA
SCHEMBL3855939 0.91 NFKB1 (0.84) NFKB1ALOX5STAT3NFKB2RELA
SCHEMBL3855986 0.91 NFKB1 (0.84) NFKB1ALOX5STAT3NFKB2RELA
SCHEMBL3855933 0.91 NFKB1 (0.84) NFKB1ALOX5STAT3NFKB2RELA
SCHEMBL3855982 0.91 NFKB1 (0.84) NFKB1ALOX5STAT3NFKB2RELA
SCHEMBL3855697 0.91 NFKB1 (0.84) NFKB1ALOX5STAT3NFKB2RELA
SCHEMBL3861948 0.91 NFKB1 (0.82) NFKB1ALOX5STAT3NFKB2RELA
SCHEMBL3861950 0.91 NFKB1 (0.82) NFKB1ALOX5STAT3NFKB2RELA

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-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
EP-2046311-A2 DIOXO-ALKANES AND DIOXO-ALKENES Phytopharm Plc (GB) 2009-04-15 EP disclosed
US-20080045591-A1 Chemical Compounds VECTURA LIMITED (GB) 2008-02-21 US disclosed
WO-2008003978-A2 DIOXO-ALKANES AND DIOXO-ALKENES PHYTOPHARM PLC (GB) 2008-01-10 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-20080045591-A1 Chemical Compounds CYP11B1, CYP11B2, CYP2S1 NFKB1 1509/4885ALOX5 1556/4885STAT3 4291/4885

“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.