SCHEMBL6002589

SCHEMBL6002589

COc1ccc(OC)c(Cl)c1.[Zn]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.60
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60
CA7 P43166 2/20 0.60
CA9 Q16790 2/20 0.60
CA14 Q9ULX7 2/20 0.60
ALDH1A1 P00352 4/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
THRB P10828 1/20 0.52
KMT2A Q03164 1/20 0.52
SLC6A4 P31645 2/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
NPSR1 Q6W5P4 2/20 0.47
CYP1A1 P04798 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP1B1 Q16678 2/20 0.47
CYP3A4 P08684 1/20 0.47
HTR2A P28223 1/20 0.46

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
SCHEMBL29587997 0.98 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL197088 0.98 CA12 (0.62) CA12CA1CA2CA7CA9
Nitrogen SCHEMBL11366394 0.93 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL1047487 0.83 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL22059520 0.83 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL2092408 0.83 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL1277797 0.81 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL13019819 0.81 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL12603887 0.81 TAS1R3 (0.49) CA12CA1CA2CA7CA9
SCHEMBL5862483 0.81 HTR2A (0.54) SLC6A4SLC6A2SLC6A3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363916-A4 EMISSIVE MULTICHROMOPHORIC SYSTEMS UNIV PENNSYLVANIA (US) 2006-06-28 EP disclosed
US-20040067198-A1 Emissive multichromophoric systems THERIEN MICHAEL J (US) 2004-04-08 US disclosed
EP-1363916-A2 EMISSIVE MULTICHROMOPHORIC SYSTEMS The Trustees of The University of Pennsylvania (US) 2003-11-26 EP disclosed
EP-0656037-B1 METAL-MEDIATED CROSS-COUPLING WITH RING-METALATED PORPHYRINS UNIV PENNSYLVANIA (US) 2003-06-04 EP disclosed
EP-1308481-A2 Metal-mediated cross-coupling with ring-metalated porphyrins THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2003-05-07 EP disclosed
WO-2002104072-A2 EMISSIVE MULTICHROMOPHORIC SYSTEMS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2002-12-27 WO disclosed
US-5986090-A Metal-mediated cross-coupling with ring-metalated porphyrins THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1999-11-16 US disclosed
US-5756723-A Metal-mediated cross-coupling with ring-metalated porphyrins THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1998-05-26 US disclosed
EP-0656037-A4 METAL-MEDIATED CROSS-COUPLING WITH RING-METALATED PORPHYRINS. UNIV PENNSYLVANIA (US) 1997-07-30 EP disclosed
US-5493017-A Ring-metalated porphyrins THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1996-02-20 US disclosed
EP-0656037-A1 METAL-MEDIATED CROSS-COUPLING WITH RING-METALATED PORPHYRINS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1995-06-07 EP disclosed
US-5371199-A Substituted porphyrins, porphyrin-containing polymers, and synthetic methods therefor THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1994-12-06 US disclosed
WO-1994004614-A1 METAL-MEDIATED CROSS-COUPLING WITH RING-METALATED PORPHYRINS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1994-03-03 WO 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 (1 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-20040067198-A1 Emissive multichromophoric systems MC3R, EML4, TYR CA12 4051/4885CA1 4787/4885CA2 3249/4885

“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.