SCHEMBL2202844

SCHEMBL2202844

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.37
▸ SMPD1 P17405 3/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NR5A1 Q13285 1/20 0.35
▸ PLA2G4B P0C869 2/20 0.34
▸ GPBAR1 Q8TDU6 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PTPN11 Q06124 1/20 0.34

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
SCHEMBL2199999 0.89 TSHR (0.44) TSHRSMPD1CYP1A2CYP19A1CYP2C9
SCHEMBL585410 0.89 TSHR (0.44) TSHRSMPD1CYP1A2CYP19A1CYP2C9
Dimethylamine SCHEMBL1861764 0.84 KDM4E (0.38) CYP1A2CYP19A1CYP2C9CYP2C19GPBAR1
SCHEMBL1854878 0.84 PDE2A (0.37) CYP1A2CYP19A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL586062 0.84 GCGR (0.34) TSHR
SCHEMBL28713240 0.84 PLA2G2A (0.36) TSHRNR5A1
SCHEMBL584885 0.82 TSHR (0.50) TSHRSMPD1CYP1A2CYP19A1CYP2C9
SCHEMBL584790 0.82 HSD17B1 (0.37) CYP1A2CYP2C9CYP2C19
SCHEMBL585273 0.82 MAOA (0.34) CYP1A2CYP19A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL21523874 0.82 RARB (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 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 3362/4885SMPD1 3353/4885CYP1A2 1592/4885
US-20040143001-A1 Novel compounds and uses thereof PPOX, CYP19A1, XDH TSHR 3602/4885SMPD1 265/4885CYP1A2 62/4885
US-20070281915-A1 Porphyrin Derivatives and Their Use in Photodynamic Therapy PPOX, PPIF, TYR TSHR 2764/4885SMPD1 684/4885CYP1A2 66/4885

“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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