Sugi Predict

Sugi Predict / Compounds / SCHEMBL5598941

SCHEMBL5598941

SCHEMBL5598941

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 5/20 0.73
▸ CYP2D6 P10635 3/20 0.73
▸ MAPT P10636 3/20 0.73
▸ BACE1 P56817 3/20 0.73
▸ CYP2C9 P11712 2/20 0.73
▸ TSHR P16473 2/20 0.73
▸ HSD17B10 Q99714 2/20 0.73
▸ MMP9 P14780 2/20 0.73
▸ MMP13 P45452 2/20 0.73
▸ CYP1A2 P05177 2/20 0.73
▸ ALOX5 P09917 2/20 0.73
▸ NFKB1 P19838 2/20 0.73
▸ HSD11B1 P28845 2/20 0.73
▸ STAT3 P40763 2/20 0.73
▸ NFKB2 Q00653 2/20 0.73
▸ RELA Q04206 2/20 0.73
▸ NFE2L2 Q16236 2/20 0.73
▸ KDM4E B2RXH2 2/20 0.73
▸ CA12 O43570 2/20 0.73
▸ CA1 P00915 2/20 0.73

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
SCHEMBL5598945 1.00 APP (0.73) APPCYP2D6MAPTBACE1CYP2C9
SCHEMBL12088589 0.91 MMP9 (0.72) APPCYP2D6MAPTBACE1CYP2C9
SCHEMBL3862006 0.89 MMP9 (0.63) APPCYP2D6MAPTBACE1CYP2C9
SCHEMBL3862013 0.89 MMP9 (0.63) APPCYP2D6MAPTBACE1CYP2C9
SCHEMBL3003953 0.88 NFE2L2 (0.71) APPCYP2D6HSD17B10CYP1A2NFKB1
SCHEMBL3003951 0.88 NFE2L2 (0.71) APPCYP2D6HSD17B10CYP1A2NFKB1
SCHEMBL3858963 0.87 APP (0.64) APPCYP2D6MAPTBACE1CYP2C9
SCHEMBL3858965 0.87 APP (0.64) APPCYP2D6MAPTBACE1CYP2C9
SCHEMBL30504665 0.87 MMP9 (0.71) APPCYP2D6MAPTBACE1CYP2C9
SCHEMBL3856222 0.86 CXCL12 (0.70) APPCYP2D6MAPTBACE1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160039734-A1 THERAPEUTIC CURCUMIN DERIVATIVES STC UNM (US) 2016-02-11 — — US disclosed
US-9187397-B2 Therapeutic curcumin derivatives STC.UNM (US) 2015-11-17 — — US disclosed
US-20150011494-A1 THERAPEUTIC CURCUMIN DERIVATIVES STC.UNM 2015-01-08 — — US disclosed
US-8841326-B2 Therapeutic curcumin derivatives STC.UNM (US) 2014-09-23 — — US disclosed
US-20140275271-A1 NOVEL MODIFIED CURCUMINS AND THEIR USES THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2014-09-18 — — US disclosed
US-20070060644-A1 Therapeutic curcumin derivatives STC.UNM 2007-03-15 — — US disclosed
US-20060276536-A1 Cancer treatment using curcumin derivatives STC.UNM 2006-12-07 — — 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 (5 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-20160039734-A1 THERAPEUTIC CURCUMIN DERIVATIVES FABP2, GLS2, FABP1 APP 662/4885CYP2D6 2976/4885MAPT 448/4885
US-20140275271-A1 NOVEL MODIFIED CURCUMINS AND THEIR USES NFKBIA, NFKB1, NFKB2 APP 550/4885CYP2D6 3869/4885MAPT 4325/4885
US-20070060644-A1 Therapeutic curcumin derivatives FABP2, GLS2, FABP1 APP 662/4885CYP2D6 2976/4885MAPT 448/4885
US-20150011494-A1 THERAPEUTIC CURCUMIN DERIVATIVES FABP2, GLS2, FABP1 APP 662/4885CYP2D6 2976/4885MAPT 448/4885
US-20060276536-A1 Cancer treatment using curcumin derivatives BRCA1, VHL, TP53 APP 3170/4885CYP2D6 2155/4885MAPT 2066/4885

“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.