SCHEMBL585042

SCHEMBL585042

CCCCCCCCCCCC1=C2C=CC(=N2)C(c2cccc(OC)c2)=C2C=CC(=N2)C=C2C=CC(=N2)C(c2cccc(OC)c2)=C2C=CC1=N2

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 1/20 0.36
▸ GCGR P47871 1/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ DCTPP1 Q9H773 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ NR5A2 O00482 1/20 0.31
▸ NR5A1 Q13285 1/20 0.31
▸ FPR1 P21462 1/20 0.31

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
SCHEMBL17681580 0.90 GCGR (0.41) TLR8GCGRCNR1CNR2DCTPP1
SCHEMBL2360345 0.87 CYP1A2 (0.32) CNR1
SCHEMBL586062 0.87 GCGR (0.34) GCGR
Hydrochloric Acid SCHEMBL588718 0.86 CYP1A2 (0.33) —
SCHEMBL7155236 0.85 GHSR (0.31) —
SCHEMBL585529 0.85 CLK4 (0.39) —
SCHEMBL585686 0.79 PTGS2 (0.35) —
SCHEMBL17419217 0.79 ALOX5 (0.31) —
SCHEMBL2202844 0.79 TSHR (0.37) NR5A1
SCHEMBL7262706 0.78 TLR8 (0.32) TLR8

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 11 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-20070167619-A1 Novel uses of porphyrin compounds DESTINY PHARMA LTD. (GB) 2007-07-19 — — US 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 (3 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-20070167619-A1 Novel uses of porphyrin compounds PPOX, ZFX, ZYX TLR8 1717/4885GCGR 4314/4885CNR1 4435/4885
US-20040143001-A1 Novel compounds and uses thereof PPOX, CYP19A1, XDH TLR8 1274/4885GCGR 3494/4885CNR1 1983/4885
US-20070281915-A1 Porphyrin Derivatives and Their Use in Photodynamic Therapy PPOX, PPIF, TYR TLR8 1924/4885GCGR 3672/4885CNR1 3410/4885

“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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