SCHEMBL584662

SCHEMBL584662

CCCCCCCCCCCOc1cccc(-c2c3nc(cc4ccc([nH]4)c(-c4cccc(OC(CC)N(CCN(CC)CC)CCN(CC)CC)c4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.39
▸ STAT1 P42224 1/20 0.39
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ CHEK2 O96017 1/20 0.33
▸ THRA P10827 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ HDAC3 O15379 7/20 0.33
▸ HDAC4 P56524 7/20 0.33
▸ HDAC1 Q13547 7/20 0.33
▸ HDAC7 Q8WUI4 7/20 0.33
▸ HDAC2 Q92769 7/20 0.33
▸ HDAC10 Q969S8 7/20 0.33
▸ HDAC11 Q96DB2 7/20 0.33
▸ HDAC8 Q9BY41 7/20 0.33
▸ HDAC6 Q9UBN7 7/20 0.33
▸ HDAC9 Q9UKV0 7/20 0.33
▸ HDAC5 Q9UQL6 7/20 0.33

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
SCHEMBL584663 0.89 STAT3 (0.44) STAT3STAT1ADORA2AADORA1PPARG
SCHEMBL12057412 0.84 STAT3 (0.46) STAT3STAT1PPARGPPARACHEK2
SCHEMBL584664 0.83 STAT3 (0.41) STAT3STAT1ADORA2AADORA1PPARG
SCHEMBL12057410 0.80 STAT3 (0.47) STAT3STAT1PPARGPPARATHRA
SCHEMBL2202843 0.78 STAT3 (0.47) STAT3STAT1PPARGPPARAHDAC3
SCHEMBL1861760 0.77 STAT3 (0.52) STAT3STAT1ADORA2AADORA1CHEK2
SCHEMBL29395084 0.77 STAT3 (0.50) STAT3STAT1TSHR
SCHEMBL17722671 0.77 STAT3 (0.49) STAT3STAT1PPARGPPARAHDAC3
SCHEMBL585272 0.76 STAT3 (0.55) STAT3STAT1PPARGPPARACHEK2
SCHEMBL28879055 0.76 STAT3 (0.49) STAT3STAT1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1768666-B1 NOVEL USES OF PORPHYRIN COMPOUNDS DESTINY PHARMA LTD (GB) 2012-02-15 — — EP disclosed
US-8084602-B2 Porphyrin derivatives and their use in photodynamic therapy DESTINY PHARMA LIMITED (CH) 2011-12-27 — — US disclosed
US-7977474-B2 Uses of porphyrin compounds DESTINY PHARMA LTD. (GB) 2011-07-12 — — US disclosed
EP-1897883-A2 Cationic porphyrin derivatives as antibacterial agents Destiny Pharma Limited (GB) 2008-03-12 — — EP disclosed
US-20070281915-A1 Porphyrin Derivatives and Their Use in Photodynamic Therapy DESTINY PHARMA LIMITED 2007-12-06 — — US disclosed
EP-1578750-B1 CATIONIC PORPHYRIN DERIVATIVES AS ANTIBACTERIAL AGENTS DESTINY PHARMA LTD (GB) 2007-11-21 — — EP disclosed
US-7244841-B2 Porphyrin derivatives and their use in photodynamic therapy DESTINY PHARMA LIMITED (GB) 2007-07-17 — — US disclosed
EP-1768666-A1 NOVEL USES OF PORPHYRIN COMPOUNDS Destiny Pharma Limited (GB) 2007-04-04 — — EP disclosed
WO-2006000765-A1 NOVEL USES DESTINY PHARMA LIMITED (GB) 2006-01-05 — — WO disclosed
US-20040143001-A1 Novel compounds and uses thereof DESTINY PHARMA LIMITED 2004-07-22 — — 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 (2 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-20040143001-A1 Novel compounds and uses thereof PPOX, CYP19A1, XDH STAT3 2198/4885STAT1 2107/4885ADORA2A 2385/4885
US-20070281915-A1 Porphyrin Derivatives and Their Use in Photodynamic Therapy PPOX, PPIF, TYR STAT3 2340/4885STAT1 1254/4885ADORA2A 2882/4885

“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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