SCHEMBL585553

SCHEMBL585553

CCCCCCCCCCCOc1cccc(-c2c3nc(c(-c4cccc(O)c4)c4ccc([nH]4)c(-c4cccc(O)c4)c4nc(c(-c5cccc(O)c5)c5ccc2[nH]5)C=C4)C=C3)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ GPBAR1 Q8TDU6 1/20 0.40
▸ NR5A1 Q13285 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ GCGR P47871 1/20 0.39
▸ SMPD1 P17405 3/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ THRA P10827 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ TERT O14746 1/20 0.38
▸ DHODH Q02127 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PLA2G4B P0C869 1/20 0.38

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
SCHEMBL585409 1.00 TSHR (0.41) TSHRALOX5GPBAR1NR5A1PPARG
SCHEMBL10084837 0.97 GPBAR1 (0.40) TSHRALOX5GPBAR1PPARGPPARA
SCHEMBL584884 0.93 TSHR (0.47) TSHRALOX5GPBAR1PPARGPPARA
SCHEMBL12057429 0.93 NR5A1 (0.44) NR5A1GCGRTERT
SCHEMBL12057410 0.89 STAT3 (0.47) TSHRALOX5GPBAR1PPARGPPARA
SCHEMBL6843058 0.89 CYP1A2 (0.48) TSHRGPBAR1CYP1A2CYP19A1CYP2C9
SCHEMBL14806865 0.87 TSHR (0.41) TSHRALOX5GPBAR1PPARGPPARA
SCHEMBL12668273 0.87 TSHR (0.41) TSHRALOX5GPBAR1CYP1A2CYP19A1
SCHEMBL27976875 0.86 TSHR (0.41) TSHRALOX5GPBAR1PPARGPPARA
SCHEMBL12057431 0.86 TSHR (0.41) TSHRALOX5GPBAR1PPARGPPARA

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 17 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
US-7977474-B2 Uses of porphyrin compounds DESTINY PHARMA LTD. (GB) 2011-07-12 — — 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-20070167619-A1 Novel uses of porphyrin compounds DESTINY PHARMA LTD. (GB) 2007-07-19 — — US 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
US-7244841-B2 Porphyrin derivatives and their use in photodynamic therapy DESTINY PHARMA LIMITED (GB) 2007-07-17 — — 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 TSHR 3362/4885ALOX5 2985/4885GPBAR1 3558/4885
US-20040143001-A1 Novel compounds and uses thereof PPOX, CYP19A1, XDH TSHR 3602/4885ALOX5 448/4885GPBAR1 890/4885
US-20070281915-A1 Porphyrin Derivatives and Their Use in Photodynamic Therapy PPOX, PPIF, TYR TSHR 2764/4885ALOX5 1258/4885GPBAR1 2043/4885

“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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