SCHEMBL904371

SCHEMBL904371

COc1cc(O)c2c(c1-c1c(OC)cc(O)c3c1C(=O)c1cc(C)c(O)c(O)c1C3=O)C(=O)C1=C(C2=O)[C@H](O)[C@@H](O)[C@@](C)(O)[C@H]1O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 1/20 0.59
▸ NFKB2 Q00653 1/20 0.59
▸ RELA Q04206 1/20 0.59
▸ EPHX2 P34913 4/20 0.41
▸ PARP1 P09874 7/20 0.39
▸ PTPN1 P18031 7/20 0.39
▸ ELANE P08246 2/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ MMP2 P08253 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TERT O14746 1/20 0.35

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
SCHEMBL13063713 1.00 NFKB1 (0.59) NFKB1NFKB2RELAEPHX2PARP1
SCHEMBL14923296 0.98 NFKB1 (0.57) NFKB1NFKB2RELAEPHX2PARP1
SCHEMBL23522374 0.94 NFKB1 (0.59) NFKB1NFKB2RELAEPHX2PARP1
SCHEMBL29362349 0.94 NFKB1 (0.59) NFKB1NFKB2RELAEPHX2PARP1
SCHEMBL8734157 0.92 NFKB1 (0.49) NFKB1NFKB2RELAEPHX2PARP1
SCHEMBL29359665 0.90 NFKB1 (0.55) NFKB1NFKB2RELAEPHX2PARP1
Alterporriol A/B SCHEMBL30948399 0.89 NFKB1 (0.59) NFKB1NFKB2RELAEPHX2PARP1
Alterporriol G/H SCHEMBL15338594 0.88 NFKB1 (0.55) NFKB1NFKB2RELAEPHX2PARP1
Alterporriol G/H SCHEMBL904379 0.88 NFKB1 (0.55) NFKB1NFKB2RELAEPHX2PARP1
SCHEMBL23522462 0.87 NFKB1 (0.67) NFKB1NFKB2RELAPARP1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435394-B1 NOVEL ANTHRAQUINONE DERIVATIVES SEALIFE PHARMA GMBH (AT) 2013-05-08 — — EP claimed
US-20120129927-A1 New Anthraquinone Derivatives SEALIFE PHARMA GMBH (AT) 2012-05-24 — — US claimed
EP-2435394-B1 NOVEL ANTHRAQUINONE DERIVATIVES SEALIFE PHARMA GMBH (AT) 2013-05-08 — — EP disclosed
EP-2435394-B1 NOVEL ANTHRAQUINONE DERIVATIVES SEALIFE PHARMA GMBH (AT) 2013-05-08 — — EP disclosed
CN-102482188-A Novel anthraquinone derivatives SEALIFE PHARMA GMBH 2012-05-30 — — CN disclosed
US-20120129927-A1 New Anthraquinone Derivatives SEALIFE PHARMA GMBH (AT) 2012-05-24 — — US disclosed
US-20120129927-A1 New Anthraquinone Derivatives SEALIFE PHARMA GMBH (AT) 2012-05-24 — — US disclosed
US-20120129927-A1 New Anthraquinone Derivatives SEALIFE PHARMA GMBH (AT) 2012-05-24 — — US disclosed
US-20120129927-A1 New Anthraquinone Derivatives SEALIFE PHARMA GMBH (AT) 2012-05-24 — — US disclosed
EP-2435394-A1 NOVEL ANTHRAQUINONE DERIVATIVES Sealife Pharma GmbH (AT) 2012-04-04 — — EP disclosed
WO-2010135759-A1 NOVEL ANTHRAQUINONE DERIVATIVES SEALIFE PHARMA GMBH (AT) 2010-12-02 — — WO disclosed
WO-2010135759-A1 NOVEL ANTHRAQUINONE DERIVATIVES SEALIFE PHARMA GMBH (AT) 2010-12-02 — — 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-20120129927-A1 New Anthraquinone Derivatives ANXA1, ANTXR2, ANXA11 NFKB1 1413/4885NFKB2 1824/4885RELA 1878/4885

“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.

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