SCHEMBL2200672

SCHEMBL2200672

CCCCCCCCCCCCOc1ccc(C2=C3C=CC(=N3)C=C3C=CC(=N3)C(c3ccc(OCCCOc4c(CN(C)C)cc(CN(C)C)cc4CN(C)C)cc3)=C3C=CC(=N3)C=C3C=CC2=N3)cc1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.31
▸ HTR1D P28221 1/20 0.31
▸ HTR1B P28222 1/20 0.31
▸ THRA P10827 2/20 0.31
▸ THRB P10828 2/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.30
▸ RARB P10826 3/20 0.30

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
SCHEMBL21523874 0.85 RARB (0.40) HTR1BRARB
Hydrochloric Acid SCHEMBL27856205 0.83 RARB (0.38) HTR1BRARB
SCHEMBL585095 0.80 RARB (0.36) HTR1BHRH3RARB
SCHEMBL28713240 0.77 PLA2G2A (0.36) —
SCHEMBL1858617 0.76 SLC6A4 (0.34) THRATHRB
Hydrochloric Acid SCHEMBL29089950 0.73 ATP4A (0.40) HRH3
SCHEMBL2330211 0.73 KDM4E (0.32) THRATHRB
SCHEMBL585087 0.73 — —
Hydrochloric Acid SCHEMBL586081 0.73 KDM4E (0.31) THRATHRB
SCHEMBL2331145 0.72 CHRNA7 (0.39) —

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
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 HTR1A 3348/4885HTR1D 3468/4885HTR1B 4176/4885
US-20040143001-A1 Novel compounds and uses thereof PPOX, CYP19A1, XDH HTR1A 1205/4885HTR1D 1005/4885HTR1B 1316/4885
US-20070281915-A1 Porphyrin Derivatives and Their Use in Photodynamic Therapy PPOX, PPIF, TYR HTR1A 1420/4885HTR1D 1521/4885HTR1B 1654/4885

“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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