SCHEMBL241659

SCHEMBL241659

O=P(O)(O)Cc1ccc([C](c2ccc(CP(=O)(O)O)cc2)c2ccc(CP(=O)(O)O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 10/20 0.55
PGK2 P07205 10/20 0.55
ENPP2 Q13822 2/20 0.50
PTPRB P23467 2/20 0.41
DGAT2 Q96PD7 1/20 0.40
ACP3 P15309 1/20 0.40

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
SCHEMBL1617420 0.87 PGK1 (0.67) PGK1PGK2ENPP2PTPRBDGAT2
SCHEMBL915496 0.82 ALDH1A1 (0.54) PGK1PGK2ENPP2
SCHEMBL9407120 0.80 PGK1 (0.59) PGK1PGK2ENPP2PTPRBACP3
SCHEMBL14414155 0.79 ENPP2 (0.49) PGK1PGK2ENPP2PTPRBDGAT2
SCHEMBL915744 0.78 PGK1 (0.57) PGK1PGK2ENPP2PTPRB
SCHEMBL28212706 0.78 PGK1 (0.61) PGK1PGK2ENPP2PTPRBDGAT2
SCHEMBL914954 0.77 RARB (0.51) PGK1PGK2
SCHEMBL914774 0.77 SRD5A2 (0.53) PGK1PGK2ENPP2
SCHEMBL915481 0.77 LMNA (0.58) PGK1PGK2ENPP2
SCHEMBL9440234 0.77 ALDH1A1 (0.54) PGK1PGK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501507-B2 Route to formyl-porphyrins NORTH CAROLINA STATE UNIVERSITY (US) 2009-03-10 US claimed
US-7312100-B2 In situ patterning of electrolyte for molecular information storage devices THE NORTH CAROLINA STATE UNIVERSITY (US) 2007-12-25 US claimed
US-20050207208-A1 Situ patterning of electrolyte for molecular information storage devices THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2005-09-22 US claimed
WO-2005017953-A2 IN SITU PATTERNING OF ELECTROLYTE FOR MOLECULAR INFORMATION STORAGE DEVICES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-02-24 WO claimed
US-8420804-B2 Formyl- and acetal-porphyrins bearing tripodal linking groups NORTH CAROLINA STATE UNIVERSITY (US) 2013-04-16 US disclosed
US-8231941-B2 Procedure for preparing redox-active polymers on surfaces THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-07-31 US disclosed
US-20120101243-A1 SUBSTITUTED BENZAZOLOPORPHYRAZINES FOR POLYMERIZATION AND SURFACE ATTACHMENT AND ARTICLES FORMED THEREFROM UNITED STATES DEPARTMENT OF ENERGY 2012-04-26 US disclosed
US-8106393-B2 Substituted benzazoloporphyrazines for polymerization and surface attachment and articles formed therefrom NORTH CAROLINA STATE UNIVERSITY (US) 2012-01-31 US disclosed
US-20120004384-A1 SUBSTITUTED BENZAZOLOPORPHYRAZINES FOR POLYMERIZATION AND SURFACE ATTACHMENT AND ARTICLES FORMED THEREFROM UNITED STATES DEPARTMENT OF ENERGY 2012-01-05 US disclosed
US-20110152515-A1 NEW ROUTE TO FORMYL-PORPHYRINS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-06-23 US disclosed
US-7919615-B2 Route to formyl-porphyrins NORTH CAROLINA STATE UNIVERSITY (US) 2011-04-05 US disclosed
US-7919770-B2 Substituted benzazoloporphyrazines for polymerization and surface attachment and articles formed therefrom NORTH CAROLINA STATE UNIVERSITY (US) 2011-04-05 US disclosed
US-7452572-B1 Procedure for preparing redox-active polymers on surfaces THE NORTH CAROLINA STATE UNIVERSITY (US) 2008-11-18 US disclosed
US-20080280047-A1 PROCEDURE FOR PREPARING REDOX-ACTIVE POLYMERS ON SURFACES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-11-13 US disclosed
US-7312100-B2 In situ patterning of electrolyte for molecular information storage devices THE NORTH CAROLINA STATE UNIVERSITY (US) 2007-12-25 US disclosed
EP-1756115-A2 A NEW ROUTE TO FORMYL-PORPHYRINS North Carolina State University (US) 2007-02-28 EP disclosed
WO-2005123742-A2 A NEW ROUTE TO FORMYL-PORPHYRINS NORTH CAROLINA STATE UNIVERSITY (US) 2005-12-29 WO disclosed
US-20050277770-A1 condensing a 5-acetaldipyrromethane with a dipyrromethane-1,9-dicarbinol to produce a porphyrin having an acetal group substituted thereon at the 5 position; and then hydrolyzing said porphyrin to produce said 5-formylporphyrin NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-12-15 US disclosed
US-20050207208-A1 Situ patterning of electrolyte for molecular information storage devices THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2005-09-22 US disclosed
WO-2005017953-A2 IN SITU PATTERNING OF ELECTROLYTE FOR MOLECULAR INFORMATION STORAGE DEVICES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-02-24 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 (4 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-20120004384-A1 SUBSTITUTED BENZAZOLOPORPHYRAZINES FOR POLYMERIZATION AND SURFACE ATTACHMENT AND ARTICLES FORMED THEREFROM PNMT, HNMT, COMT PGK1 2200/4885PGK2 1840/4885ENPP2 2616/4885
US-20110152515-A1 NEW ROUTE TO FORMYL-PORPHYRINS PPOX, ALAD, UROD PGK1 2338/4885PGK2 2270/4885ENPP2 2180/4885
US-20050277770-A1 condensing a 5-acetaldipyrromethane with a dipyrromethane-1,9-dicarbinol to produce a porphyrin having an acetal group substituted thereon at the 5 position; and then hydrolyzing said porphyrin to produce said 5-formylporphyrin DHPS, NOTUM, DOHH PGK1 1730/4885PGK2 1755/4885ENPP2 2619/4885
US-20120101243-A1 SUBSTITUTED BENZAZOLOPORPHYRAZINES FOR POLYMERIZATION AND SURFACE ATTACHMENT AND ARTICLES FORMED THEREFROM PNMT, HNMT, COMT PGK1 2200/4885PGK2 1840/4885ENPP2 2616/4885

“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.