SCHEMBL1818679

SCHEMBL1818679

CC(C)[Si](C#Cc1ccc(C=O)cc1)(C(C)C)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.44
ALDH1A3 P47895 2/20 0.40
CYP2A6 P11509 4/20 0.39
ALDH1A1 P00352 7/20 0.35
CYP2A13 Q16696 1/20 0.35
HSD17B10 Q99714 1/20 0.34
ALDH5A1 P51649 1/20 0.34
ABAT P80404 1/20 0.34
ALDH3A1 P30838 1/20 0.33
DYRK1A Q13627 1/20 0.33
EGFR P00533 1/20 0.32
KDM4E B2RXH2 1/20 0.31
BRD4 O60885 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
SCHEMBL3287567 0.81 TYR (0.35) TYRDYRK1A
SCHEMBL701214 0.79 CYP2A6 (0.43) TYRALDH1A3CYP2A6ALDH1A1CYP2A13
SCHEMBL17518205 0.76 HTR2A (0.31)
SCHEMBL8384841 0.75 CYP2A6 (0.50) TYRALDH1A3CYP2A6ALDH1A1CYP2A13
SCHEMBL1457127 0.75 ACACB (0.38) CYP2A6ALDH1A1
SCHEMBL30283030 0.75 APP (0.44) TYRALDH1A1HSD17B10KDM4E
SCHEMBL13644960 0.75 HDAC8 (0.38)
SCHEMBL1457390 0.75 APP (0.33)
SCHEMBL2609821 0.75 ACACB (0.38) TYRKDM4E
SCHEMBL12591181 0.75 CACNA2D1 (0.33)

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022862-B2 Scalable synthesis of dipyrromethanes NORTH CAROLINA STATE UNIVERSITY (US) 2006-04-04 US claimed
US-20050038262-A1 aldehyde-pyrrole catalytic condensation leading to dipyrromethanes as a crystalline solid or as intermediates used for making porphyrin compounds; non-aqueous process NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-02-17 US claimed
US-10392395-B2 Nitrogen-containing aromatic compounds and metal complexes SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-08-27 US disclosed
EP-2493890-B1 NITROGEN-CONTAINING AROMATIC COMPOUNDS AND METAL COMPLEXES SUMITOMO CHEMICAL CO (JP) 2018-03-21 EP disclosed
US-9562023-B2 Dipeptide mimics, libraries combining two dipeptide mimics with a third group, and methods for production thereof Burgess, Kevin (US) 2017-02-07 US disclosed
US-20140066290-A1 CATHODE CATALYST FOR AIR SECONDARY BATTERY AND AIR SECONDARY BATTERY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-03-06 US disclosed
US-20120270141-A1 NITROGEN-CONTAINING AROMATIC COMPOUNDS AND METAL COMPLEXES MAX PLANCK GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2012-10-25 US disclosed
US-20120232268-A1 Dipeptide Mimics, Libraries Combining Two Dipeptide Mimics with a Third Group, and Methods for Production Thereof GRADALIS, INC. (US) 2012-09-13 US disclosed
CN-102666547-A Nitrogen-containing aromatic compound and metal complex SUMITOMO CHEMICAL CO 2012-09-12 CN disclosed
EP-2493890-A1 NITROGEN-CONTAINING AROMATIC COMPOUNDS AND METAL COMPLEXES Sumitomo Chemical Company, Limited (JP) 2012-09-05 EP disclosed
CN-1980600-B Synthesis of porphyrins designed for attachment to electroactive surfaces via one or more carbon tethers UNIV NORTH CAROLINA 2011-08-10 CN disclosed
US-7718794-B2 Synthesis of porphyrins designed for attachment to electroactive surfaces via one or more carbon tethers NORTH CAROLINA STATE UNIVERSITY (US) 2010-05-18 US disclosed
US-20090264315-A1 DIPEPTIDE MIMICS, LIBRARIES COMBINING TWO DIPEPTIDE MIMICS WITH A THIRD GROUP, AND METHODS FOR PRODUCTION THEREOF TEXAS A&M UNIVERSITY SYSTEM (US) 2009-10-22 US disclosed
US-20080194839-A1 SYNTHESIS OF PORPHYRINS DESIGNED FOR ATTACHMENT TO ELECTROACTIVE SURFACES VIA ONE OR MORE CARBON TETHERS NORTH CAROLINA STATE UNIVERSITY (US) 2008-08-14 US disclosed
US-7378520-B2 Synthesis of porphyrins designed for attachment to electroactive surfaces via one or more carbon tethers NORTH CAROLINA STATE UNIVERSITY (US) 2008-05-27 US disclosed
EP-1763317-A1 SYNTHESIS OF PORPHYRINS DESIGNED FOR ATTACHMENT TO ELECTROACTIVE SURFACES VIA ONE OR MORE CARBON TETHERS North Carolina State University (US) 2007-03-21 EP disclosed
US-7022862-B2 Scalable synthesis of dipyrromethanes NORTH CAROLINA STATE UNIVERSITY (US) 2006-04-04 US disclosed
WO-2006016943-A1 SYNTHESIS OF PORPHYRINS DESIGNED FOR ATTACHMENT TO ELECTROACTIVE SURFACES VIA ONE OR MORE CARBON TETHERS NORTH CAROLINA STATE UNIVERSITY (US) 2006-02-16 WO disclosed
US-20060009638-A1 Synthesis of porphyrins designed for attachment to electroactive surfaces via one or more carbon tethers ZETTACORE, INC. 2006-01-12 US disclosed
US-20050038262-A1 aldehyde-pyrrole catalytic condensation leading to dipyrromethanes as a crystalline solid or as intermediates used for making porphyrin compounds; non-aqueous process NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-02-17 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 (7 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-20120232268-A1 Dipeptide Mimics, Libraries Combining Two Dipeptide Mimics with a Third Group, and Methods for Production Thereof DNPEP, BRDT, PTMS TYR 541/4885ALDH1A3 4033/4885CYP2A6 4502/4885
US-20060009638-A1 Synthesis of porphyrins designed for attachment to electroactive surfaces via one or more carbon tethers SCO2, PPOX, HCCS TYR 234/4885ALDH1A3 575/4885CYP2A6 819/4885
US-20050038262-A1 aldehyde-pyrrole catalytic condensation leading to dipyrromethanes as a crystalline solid or as intermediates used for making porphyrin compounds; non-aqueous process PPOX, DAO, DDO TYR 111/4885ALDH1A3 41/4885CYP2A6 895/4885
US-20120270141-A1 NITROGEN-CONTAINING AROMATIC COMPOUNDS AND METAL COMPLEXES TYR, MT-CO2, SOD1 TYR 1/4885ALDH1A3 3616/4885CYP2A6 1435/4885
US-10392395-B2 Nitrogen-containing aromatic compounds and metal complexes TYR, MT-CO2, SOD1 TYR 1/4885ALDH1A3 3616/4885CYP2A6 1435/4885
US-20080194839-A1 SYNTHESIS OF PORPHYRINS DESIGNED FOR ATTACHMENT TO ELECTROACTIVE SURFACES VIA ONE OR MORE CARBON TETHERS SCO2, PPOX, HCCS TYR 234/4885ALDH1A3 575/4885CYP2A6 819/4885
US-20090264315-A1 DIPEPTIDE MIMICS, LIBRARIES COMBINING TWO DIPEPTIDE MIMICS WITH A THIRD GROUP, AND METHODS FOR PRODUCTION THEREOF DNPEP, BRDT, PTMS TYR 541/4885ALDH1A3 4033/4885CYP2A6 4502/4885

“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.