SCHEMBL5598747

SCHEMBL5598747

COc1cc(C=CC(=O)C=Cc2ccccc2)ccc1O

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.85
NFKB1 P19838 3/20 0.85
CYP1A2 P05177 2/20 0.85
ALOX5 P09917 2/20 0.85
HSD11B1 P28845 2/20 0.85
STAT3 P40763 2/20 0.85
NFKB2 Q00653 2/20 0.85
RELA Q04206 2/20 0.85
NFE2L2 Q16236 2/20 0.85
APP P05067 3/20 0.80
MAPT P10636 2/20 0.80
CA12 O43570 3/20 0.73
CA4 P22748 3/20 0.73
CA6 P23280 3/20 0.73
CA5A P35218 3/20 0.73
CA7 P43166 3/20 0.73
CA9 Q16790 3/20 0.73
CA14 Q9ULX7 3/20 0.73
CA5B Q9Y2D0 3/20 0.73
KDM4E B2RXH2 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
SCHEMBL5598746 1.00 CYP2D6 (0.85) CYP2D6NFKB1CYP1A2ALOX5HSD11B1
SCHEMBL30668505 0.92 CYP2D6 (1.00) CYP2D6NFKB1CYP1A2ALOX5HSD11B1
SCHEMBL29478095 0.92 CYP2D6 (1.00) CYP2D6NFKB1CYP1A2ALOX5HSD11B1
SCHEMBL1493283 0.92 CYP2D6 (1.00) CYP2D6NFKB1CYP1A2ALOX5HSD11B1
SCHEMBL1493282 0.92 CYP2D6 (1.00) CYP2D6NFKB1CYP1A2ALOX5HSD11B1
Ferulate SCHEMBL28581355 0.91 KDM4E (0.88) CYP2D6NFKB1CYP1A2ALOX5HSD11B1
Ferulate SCHEMBL28581353 0.91 KDM4E (0.88) CYP2D6NFKB1CYP1A2ALOX5HSD11B1
SCHEMBL10053062 0.90 CYP2D6 (0.83) CYP2D6NFKB1CYP1A2ALOX5HSD11B1
SCHEMBL17019805 0.90 CYP2D6 (0.88) CYP2D6NFKB1CYP1A2ALOX5HSD11B1
SCHEMBL25645109 0.89 APP (1.00) CYP2D6NFKB1CYP1A2ALOX5HSD11B1

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-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-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 (4 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 CYP2D6 2976/4885NFKB1 418/4885CYP1A2 2544/4885
US-20070060644-A1 Therapeutic curcumin derivatives FABP2, GLS2, FABP1 CYP2D6 2976/4885NFKB1 418/4885CYP1A2 2544/4885
US-20150011494-A1 THERAPEUTIC CURCUMIN DERIVATIVES FABP2, GLS2, FABP1 CYP2D6 2976/4885NFKB1 418/4885CYP1A2 2544/4885
US-20060276536-A1 Cancer treatment using curcumin derivatives BRCA1, VHL, TP53 CYP2D6 2155/4885NFKB1 73/4885CYP1A2 760/4885

“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.