SCHEMBL5598665

SCHEMBL5598665

COCOc1ccc(C=CC(=O)C=Cc2ccc(OCOC)c(OC)c2)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.65
JUN P05412 1/20 0.65
FDPS P14324 3/20 0.63
HDAC1 Q13547 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
NFE2L2 Q16236 2/20 0.61
CYP1A2 P05177 1/20 0.61
ALOX5 P09917 1/20 0.61
CYP2D6 P10635 1/20 0.61
HSD11B1 P28845 1/20 0.61
STAT3 P40763 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
TXNRD1 Q16881 1/20 0.60
TXNRD3 Q86VQ6 1/20 0.60
TXNRD2 Q9NNW7 1/20 0.60
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 1/20 0.59
HPGD P15428 1/20 0.59

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
SCHEMBL5598661 1.00 NFKB1 (0.65) NFKB1JUNFDPSHDAC1HDAC2
SCHEMBL2743993 0.94 NFKB1 (0.56) NFKB1JUNFDPSHDAC1HDAC2
SCHEMBL2743988 0.94 NFKB1 (0.56) NFKB1JUNFDPSHDAC1HDAC2
SCHEMBL2744110 0.93 BACE1 (0.64) NFKB1JUNFDPSHDAC1HDAC2
SCHEMBL2744681 0.93 CYP2D6 (0.74) NFKB1JUNHDAC1HDAC2HDAC8
SCHEMBL14571887 0.93 MAPT (0.59) NFKB1JUNFDPSHDAC1HDAC2
SCHEMBL2744676 0.93 CYP2D6 (0.74) NFKB1JUNHDAC1HDAC2HDAC8
SCHEMBL2744107 0.93 BACE1 (0.64) NFKB1JUNFDPSHDAC1HDAC2
SCHEMBL5598627 0.90 FDPS (0.79) NFKB1JUNFDPSHDAC1HDAC2
SCHEMBL7290486 0.90 KDM4E (0.75) FDPSHDAC1HDAC2HDAC8NFE2L2

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 NFKB1 418/4885JUN 2204/4885FDPS 2838/4885
US-20070060644-A1 Therapeutic curcumin derivatives FABP2, GLS2, FABP1 NFKB1 418/4885JUN 2204/4885FDPS 2838/4885
US-20150011494-A1 THERAPEUTIC CURCUMIN DERIVATIVES FABP2, GLS2, FABP1 NFKB1 418/4885JUN 2204/4885FDPS 2838/4885
US-20060276536-A1 Cancer treatment using curcumin derivatives BRCA1, VHL, TP53 NFKB1 73/4885JUN 786/4885FDPS 2157/4885

“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.