SCHEMBL2037596

SCHEMBL2037596

Ic1ccc(C#Cc2cc(C#Cc3ccc(I)cc3)cc(C#Cc3ccc(I)cc3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
APP P05067 13/20 0.48
MAPT P10636 1/20 0.40
TPMT P51580 1/20 0.31

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
SCHEMBL1306241 0.91 APP (0.47) APPMAPTTPMT
SCHEMBL20015758 0.91 APP (0.47) APPMAPTTPMT
SCHEMBL2865734 0.83 APP (0.74) APPMAPT
SCHEMBL18649211 0.82 APP (0.41) APPMAPTTPMT
SCHEMBL16501329 0.80 APP (0.67) APPMAPT
SCHEMBL16675523 0.78 CYP1A1 (0.50) APPMAPT
SCHEMBL16675512 0.78 CYP1A1 (0.50) APPMAPT
SCHEMBL21564900 0.78 GRM5 (0.52) APPMAPT
SCHEMBL12824286 0.78 ACACB (0.44) APP
SCHEMBL5484564 0.77 APP (0.41) APPTPMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470198-B2 Mesogenic compounds comprising discotic and calamitic groups MERCK PATENT GMBH (DE) 2013-06-25 US disclosed
US-8470198-B2 Mesogenic compounds comprising discotic and calamitic groups MERCK PATENT GMBH (DE) 2013-06-25 US disclosed
US-8470198-B2 Mesogenic compounds comprising discotic and calamitic groups MERCK PATENT GMBH (DE) 2013-06-25 US disclosed
EP-2313474-B1 MESOGENIC COMPOUNDS COMPRISING DISCOTIC AND CALAMITIC GROUPS MERCK PATENT GMBH (DE) 2012-09-05 EP disclosed
EP-2313474-B1 MESOGENIC COMPOUNDS COMPRISING DISCOTIC AND CALAMITIC GROUPS MERCK PATENT GMBH (DE) 2012-09-05 EP disclosed
US-20110147659-A1 MESOGENIC COMPOUNDS COMPRISING DISCOTIC AND CALAMITIC GROUPS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-06-23 US disclosed
US-20110147659-A1 MESOGENIC COMPOUNDS COMPRISING DISCOTIC AND CALAMITIC GROUPS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-06-23 US disclosed
WO-2010020312-A1 MESOGENIC COMPOUNDS COMPRISING DISCOTIC AND CALAMITIC GROUPS MERCK PATENT GMBH (DE) 2010-02-25 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-20110147659-A1 MESOGENIC COMPOUNDS COMPRISING DISCOTIC AND CALAMITIC GROUPS CALD1, DIAPH1, CALR APP 3249/4885MAPT 647/4885TPMT 4191/4885

“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.