SCHEMBL585095

SCHEMBL585095

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 3/20 0.36
▸ NR5A1 Q13285 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ HTR2A P28223 2/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL21523874 0.95 RARB (0.40) RARBNR5A1KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL27856205 0.93 RARB (0.38) RARBNR5A1KDM4EALDH1A1HPGD
SCHEMBL585087 0.92 — —
SCHEMBL588822 0.88 NR5A1 (0.43) RARBNR5A1KDM4EALDH1A1HPGD
SCHEMBL585219 0.88 NR5A1 (0.43) RARBNR5A1KDM4EALDH1A1HPGD
SCHEMBL28713240 0.84 PLA2G2A (0.36) NR5A1TSHR
Hydrochloric Acid SCHEMBL29089950 0.82 ATP4A (0.40) KDM4EHRH3
SCHEMBL2331145 0.81 CHRNA7 (0.39) KDM4EALDH1A1HPGDCYP2D6MAPT
SCHEMBL2327446 0.81 CHRNB4 (0.30) CYP2D6CYP3A4
Hydrochloric Acid SCHEMBL5180957 0.80 PTPN1 (0.33) RARBCYP2D6CYP3A4CYP1A2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101200468-B Novel compounds and uses thereof DESTINY PHARMA LTD 2012-06-13 — — CN disclosed
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
CN-101200468-A Novel compounds and uses thereof DESTINY PHARMA LTD (GB) 2008-06-18 — — CN disclosed
EP-1897883-A2 Cationic porphyrin derivatives as antibacterial agents Destiny Pharma Limited (GB) 2008-03-12 — — EP disclosed
CN-100360536-C Novel compound and use thereof DESTINY PHARMA LTD (GB) 2008-01-09 — — CN 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
CN-1753896-A Novel compound and use thereof DESTINY PHARMA LTD (GB) 2006-03-29 — — CN 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 RARB 3744/4885NR5A1 2010/4885KDM4E 1929/4885
US-20040143001-A1 Novel compounds and uses thereof PPOX, CYP19A1, XDH RARB 1254/4885NR5A1 271/4885KDM4E 1792/4885
US-20070281915-A1 Porphyrin Derivatives and Their Use in Photodynamic Therapy PPOX, PPIF, TYR RARB 1602/4885NR5A1 1247/4885KDM4E 1845/4885

“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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