SCHEMBL3863009

SCHEMBL3863009

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.62
NFKB1 P19838 3/20 0.62
STAT3 P40763 3/20 0.62
NFKB2 Q00653 3/20 0.62
RELA Q04206 3/20 0.62
CYP2D6 P10635 3/20 0.62
CYP1A2 P05177 2/20 0.62
HSD11B1 P28845 2/20 0.62
NFE2L2 Q16236 2/20 0.62
APP P05067 2/20 0.60
KDM4E B2RXH2 2/20 0.60
CA12 O43570 2/20 0.60
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60
CA3 P07451 2/20 0.60
PKM P14618 2/20 0.60
CA4 P22748 2/20 0.60
CA6 P23280 2/20 0.60
CA5A P35218 2/20 0.60
SNCA P37840 2/20 0.60

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
SCHEMBL3863003 1.00 ALOX5 (0.62) ALOX5NFKB1STAT3NFKB2RELA
SCHEMBL3856910 0.91 CXCL12 (0.70) ALOX5NFKB1STAT3NFKB2RELA
SCHEMBL3856916 0.91 CXCL12 (0.70) ALOX5NFKB1STAT3NFKB2RELA
SCHEMBL3857006 0.90 CXCL12 (0.70) ALOX5NFKB1STAT3NFKB2RELA
SCHEMBL3857011 0.90 CXCL12 (0.70) ALOX5NFKB1STAT3NFKB2RELA
SCHEMBL3859790 0.90 CA12 (0.61) ALOX5NFKB1STAT3NFKB2RELA
SCHEMBL3859793 0.90 CA12 (0.61) ALOX5NFKB1STAT3NFKB2RELA
SCHEMBL3862265 0.90 APP (0.64) ALOX5NFKB1STAT3NFKB2RELA
SCHEMBL3862271 0.90 APP (0.64) ALOX5NFKB1STAT3NFKB2RELA
SCHEMBL8965757 0.89 CYP2D6 (0.72) ALOX5NFKB1STAT3NFKB2RELA

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 3 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
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 ALOX5 1556/4885NFKB1 1509/4885STAT3 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.