SCHEMBL1345645

SCHEMBL1345645

O=Cc1c2nc(cc3ccc([nH]3)c(C=O)c3nc(cc4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.49
▸ STAT1 P42224 1/20 0.49
▸ CYP2A6 P11509 1/20 0.32

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
SCHEMBL352669 0.97 STAT3 (0.47) STAT3STAT1CYP2A6
SCHEMBL1595493 0.95 STAT3 (0.44) STAT3STAT1CYP2A6
SCHEMBL1595495 0.95 STAT3 (0.44) STAT3STAT1CYP2A6
SCHEMBL9096665 0.89 STAT3 (0.47) STAT3STAT1CYP2A6
SCHEMBL6540939 0.87 STAT3 (0.39) STAT3STAT1
SCHEMBL14012307 0.85 STAT3 (0.69) STAT3STAT1
SCHEMBL8692255 0.83 STAT3 (0.43) STAT3STAT1
SCHEMBL461738 0.81 STAT3 (0.47) STAT3STAT1
SCHEMBL3447556 0.79 STAT3 (0.44) STAT3STAT1
SCHEMBL2752554 0.78 STAT3 (0.36) STAT3STAT1CYP2A6

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
CN-103059033-A New method for preparing formyl-porphyrins UNIV NORTH CAROLINA STATE 2013-04-24 — — CN claimed
US-8420804-B2 Formyl- and acetal-porphyrins bearing tripodal linking groups NORTH CAROLINA STATE UNIVERSITY (US) 2013-04-16 — — US claimed
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 claimed
US-20090137795-A1 NEW ROUTE TO FORMYL-PORPHYRINS NORTH CAROLINA STATE UNIVERSITY (US) 2009-05-28 — — US claimed
US-7501507-B2 Route to formyl-porphyrins NORTH CAROLINA STATE UNIVERSITY (US) 2009-03-10 — — US claimed
CN-101268080-A New way for preparing formyl porphyrin UNIV NORTH CAROLINA (US) 2008-09-17 — — CN claimed
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 claimed
CN-103059033-A New method for preparing formyl-porphyrins UNIV NORTH CAROLINA STATE 2013-04-24 — — CN disclosed
US-8420804-B2 Formyl- and acetal-porphyrins bearing tripodal linking groups NORTH CAROLINA STATE UNIVERSITY (US) 2013-04-16 — — US disclosed
US-8062756-B2 Stepwise growth of oligomeric redox-active molecules on a surface without the use of protecting groups The Regents oft the University of California (US) 2011-11-22 — — 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
EP-1756115-A4 A NEW ROUTE TO FORMYL-PORPHYRINS UNIV NORTH CAROLINA STATE (US) 2009-07-29 — — EP disclosed
US-7501507-B2 Route to formyl-porphyrins NORTH CAROLINA STATE UNIVERSITY (US) 2009-03-10 — — US disclosed
CN-101268080-A New way for preparing formyl porphyrin UNIV NORTH CAROLINA (US) 2008-09-17 — — CN disclosed
US-20070123618-A1 Stepwise growth of oligomeric redox-active molecules on a surface without the use of protecting groups THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-05-31 — — US disclosed
WO-2007025114-A2 STEPWISE GROWTH OF OLIGOMERIC REDOX-ACTIVE MOLECULES ON A SURFACE WITHOUT THE USE OF PROTECTING GROUPS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-03-01 — — WO 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

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-20090137795-A1 NEW ROUTE TO FORMYL-PORPHYRINS PPOX, DHPS, FDPS STAT3 3755/4885STAT1 3957/4885CYP2A6 759/4885
US-20110152515-A1 NEW ROUTE TO FORMYL-PORPHYRINS PPOX, ALAD, UROD STAT3 4123/4885STAT1 4328/4885CYP2A6 1340/4885
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 STAT3 4298/4885STAT1 4505/4885CYP2A6 331/4885

“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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