SCHEMBL585219

SCHEMBL585219

CCCCCCCCCCCCOc1ccc(C2=C3C=CC(=N3)C(c3ccc(OCCCBr)cc3)=C3C=CC(=N3)C(c3ccc(OCCCBr)cc3)=C3C=CC(=N3)C(c3ccc(OCCCBr)cc3)=C3C=CC2=N3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR5A1 Q13285 1/20 0.43
▸ RARB P10826 3/20 0.43
▸ CYP2D6 P10635 3/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ LTA4H P09960 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP19A1 P11511 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL588822 1.00 NR5A1 (0.43) NR5A1RARBCYP2D6CYP3A4KDM4E
SCHEMBL28246969 0.90 MAPT (0.47) NR5A1RARBCYP2D6CYP3A4KDM4E
SCHEMBL585095 0.88 RARB (0.36) NR5A1RARBCYP2D6CYP3A4KDM4E
SCHEMBL585101 0.87 NR5A1 (0.61) NR5A1RARBCYP2D6CYP3A4KDM4E
SCHEMBL585440 0.87 NR5A1 (0.61) NR5A1RARBCYP2D6CYP3A4KDM4E
SCHEMBL586281 0.87 NR5A1 (0.61) NR5A1RARBCYP2D6CYP3A4KDM4E
SCHEMBL584948 0.87 NR5A1 (0.61) NR5A1RARBCYP2D6CYP3A4KDM4E
SCHEMBL584874 0.87 NR5A1 (0.61) NR5A1RARBCYP2D6CYP3A4KDM4E
SCHEMBL584867 0.87 NR5A1 (0.61) NR5A1RARBCYP2D6CYP3A4KDM4E
SCHEMBL584742 0.87 NR5A1 (0.61) NR5A1RARBCYP2D6CYP3A4KDM4E

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 NR5A1 2010/4885RARB 3744/4885CYP2D6 2244/4885
US-20040143001-A1 Novel compounds and uses thereof PPOX, CYP19A1, XDH NR5A1 271/4885RARB 1254/4885CYP2D6 148/4885
US-20070281915-A1 Porphyrin Derivatives and Their Use in Photodynamic Therapy PPOX, PPIF, TYR NR5A1 1247/4885RARB 1602/4885CYP2D6 92/4885

“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.

Send feedback