SCHEMBL584884

SCHEMBL584884

CCCCCCCCCCCCOc1cccc(-c2c3nc(c(-c4cccc(OCCCCCCCCCCCC)c4)c4ccc([nH]4)c(-c4cccc(OCCCCCCCCCCCC)c4)c4nc(c(-c5cccc(OCCCCCCCCCCCC)c5)c5ccc2[nH]5)C=C4)C=C3)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.47
▸ CYP1A2 P05177 1/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ ALOX5 P09917 1/20 0.42
▸ TERT O14746 2/20 0.42
▸ GPBAR1 Q8TDU6 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ DHFR P00374 5/20 0.41
▸ SMPD1 P17405 3/20 0.41
▸ PPARG P37231 1/20 0.41
▸ PPARA Q07869 1/20 0.41

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
SCHEMBL6843058 0.95 CYP1A2 (0.48) TSHRCYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL585409 0.93 TSHR (0.41) TSHRCYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL14806865 0.93 TSHR (0.41) TSHRCYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL585553 0.93 TSHR (0.41) TSHRCYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL12668273 0.93 TSHR (0.41) TSHRCYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL27976881 0.92 TSHR (0.41) TSHRCYP1A2CYP19A1CYP2C9CYP2C19
Zinc Ion SCHEMBL27976882 0.92 TSHR (0.41) TSHRCYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL12057431 0.92 TSHR (0.41) TSHRCYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL27976875 0.92 TSHR (0.41) TSHRCYP1A2CYP19A1CYP2C9CYP2C19
Bromide SCHEMBL14806853 0.92 TSHR (0.40) TSHRCYP1A2CYP19A1CYP2C9CYP2C19

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 20 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
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-8084602-B2 Porphyrin derivatives and their use in photodynamic therapy DESTINY PHARMA LIMITED (CH) 2011-12-27 — — US 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
US-20070281915-A1 Porphyrin Derivatives and Their Use in Photodynamic Therapy DESTINY PHARMA LIMITED 2007-12-06 — — US 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
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 3362/4885CYP1A2 1592/4885CYP19A1 1281/4885
US-20040143001-A1 Novel compounds and uses thereof PPOX, CYP19A1, XDH TSHR 3602/4885CYP1A2 62/4885CYP19A1 2/4885
US-20070281915-A1 Porphyrin Derivatives and Their Use in Photodynamic Therapy PPOX, PPIF, TYR TSHR 2764/4885CYP1A2 66/4885CYP19A1 27/4885

“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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