SCHEMBL2199999

SCHEMBL2199999

CCCCCCCCCCCOc1cccc(C2=C3C=CC(=N3)C(c3cccc(O)c3)=C3C=CC(=N3)C(c3cccc(O)c3)=C3C=CC(=N3)C(c3cccc(O)c3)=C3C=CC2=N3)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.44
▸ NR5A1 Q13285 1/20 0.42
▸ SMPD1 P17405 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PLA2G4B P0C869 2/20 0.40
▸ GPBAR1 Q8TDU6 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PTPN11 Q06124 1/20 0.39
▸ GGPS1 O95749 1/20 0.39
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ THRA P10827 1/20 0.38
▸ THRB P10828 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
SCHEMBL585410 1.00 TSHR (0.44) TSHRNR5A1SMPD1CYP1A2CYP19A1
SCHEMBL584885 0.93 TSHR (0.50) TSHRSMPD1CYP1A2CYP19A1CYP2C9
SCHEMBL2202844 0.89 TSHR (0.37) TSHRNR5A1SMPD1CYP1A2CYP19A1
SCHEMBL14806868 0.86 TSHR (0.44) TSHRSMPD1CYP1A2CYP19A1CYP2C9
SCHEMBL6851528 0.86 PLA2G4B (0.42) TSHRNR5A1SMPD1CYP1A2CYP19A1
SCHEMBL6851858 0.86 PLA2G4B (0.42) TSHRNR5A1SMPD1CYP1A2CYP19A1
SCHEMBL6851411 0.86 PLA2G4B (0.42) TSHRNR5A1SMPD1CYP1A2CYP19A1
SCHEMBL19718135 0.84 PPARG (0.46) —
SCHEMBL19718115 0.84 CYSLTR2 (0.47) —
SCHEMBL6851520 0.82 PLA2G4B (0.44) TSHRSMPD1CYP1A2CYP19A1CYP2C9

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 TSHR 3362/4885NR5A1 2010/4885SMPD1 3353/4885
US-20040143001-A1 Novel compounds and uses thereof PPOX, CYP19A1, XDH TSHR 3602/4885NR5A1 271/4885SMPD1 265/4885
US-20070281915-A1 Porphyrin Derivatives and Their Use in Photodynamic Therapy PPOX, PPIF, TYR TSHR 2764/4885NR5A1 1247/4885SMPD1 684/4885

“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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