SCHEMBL80002

SCHEMBL80002

Oc1c2nc(c(O)c3ccc(cc4nc(cc5ccc1[nH]5)C=C4)[nH]3)C=C2

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.48
▸ STAT1 P42224 1/20 0.48
▸ TOP1 P11387 1/20 0.31
▸ CYCS P99999 2/20 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
SCHEMBL460557 0.95 STAT3 (0.50) STAT3STAT1
SCHEMBL8909390 0.87 STAT3 (0.42) STAT3STAT1TOP1CYCS
SCHEMBL8160339 0.86 STAT3 (0.71) STAT3STAT1TOP1CYCS
SCHEMBL1343985 0.79 STAT3 (0.48) STAT3STAT1TOP1
SCHEMBL868308 0.79 STAT3 (0.48) STAT3STAT1
SCHEMBL869195 0.79 STAT3 (0.48) STAT3STAT1
SCHEMBL224519 0.79 STAT3 (0.48) STAT3STAT1
SCHEMBL9866324 0.79 STAT3 (0.49) STAT3STAT1
SCHEMBL6479855 0.79 STAT3 (0.49) STAT3STAT1
SCHEMBL38329 0.79 STAT3 (0.49) STAT3STAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140106367-A1 SWALLOWTAIL MOTIFS FOR IMPARTING WATER SOLUBILITY TO PORPHYRINIC COMPOUNDS NORTH CAROLINA STATE UNIVERSITY (US) 2014-04-17 — — US disclosed
US-8530459-B2 Swallowtail motifs for imparting water solubility to porphyrinic compounds NORTH CAROLINA STATE UNIVERSITY (US) 2013-09-10 — — US disclosed
US-8420804-B2 Formyl- and acetal-porphyrins bearing tripodal linking groups NORTH CAROLINA STATE UNIVERSITY (US) 2013-04-16 — — US disclosed
US-8420804-B2 Formyl- and acetal-porphyrins bearing tripodal linking groups NORTH CAROLINA STATE UNIVERSITY (US) 2013-04-16 — — US disclosed
US-20120126214-A1 METHODS AND INTERMEDIATES FOR THE SYNTHESIS OF DIPYRRIN-SUBSTITUTED PORPHYRINIC MACROCYCLES UNITED STATES DEPARTMENT OF ENERGY 2012-05-24 — — US disclosed
US-20120082621-A1 SWALLOWTAIL MOTIFS FOR IMPARTING WATER SOLUBILITY TO PORPHYRINIC COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-04-05 — — US disclosed
US-8129520-B2 Methods and intermediates for the synthesis of dipyrrin-substituted porphyrinic macrocycles NORTH CAROLINA STATE UNIVERSITY (US) 2012-03-06 — — US disclosed
US-8097609-B2 Swallowtail motifs for imparting water solubility to porphyrinic compounds NORTH CAROLINA STATE UNIVERSITY (US) 2012-01-17 — — US disclosed
US-20110197969-A1 METHODS AND INTERMEDIATES FOR THE SYNTHESIS OF DIPYRRIN-SUBSTITUTED PORPHYRINIC MACROCYCLES UNITED STATES DEPARTMENT OF ENERGY 2011-08-18 — — 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
WO-2006018475-A1 PHOTOVOLTAIC CELL BASED ON VECTORIAL ELECTRON TRANSFER LICENTIA OY (FI) 2006-02-23 — — 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
WO-2004109768-A2 METHODS AND INTERMEDIATES FOR THE SYNTHESIS OF DIPYRRIN-SUBSTITUTED PORPHYRINIC MACROCYCLES NORTH CAROLINA STATE UNIVERSITY (US) 2004-12-16 — — WO disclosed
US-20040254383-A1 Reacting a dipyrromethane with an oxidant and a metal salt to produce the bis(dipyrrinato)metal complex; for making molecular memory devices, solar cells and light harvesting arrays UNITED STATE DEPARTMENT OF ENERGY 2004-12-16 — — US disclosed
US-20030031676-A1 Conjugate compounds for treating atheroma and other diseases PHARMACYCLICS, INC. 2003-02-13 — — US disclosed
EP-1223982-A2 CONJUGATE FOR TREATING ATHEROMA AND OTHER DISEASES PHARMACYCLICS, INC. (US) 2002-07-24 — — EP disclosed
WO-2001032211-A2 CONJUGATE COMPOUNDS FOR TREATING ATHEROMA AND OTHER DISEASES PHARMACYCLICS, INC. (US) 2001-05-10 — — WO disclosed
EP-0705897-B1 Luminescent dyes, active elements on their basis and method for measuring oxygen concentration using said luminescent dyes JOANNEUM RESEARCH FORSCHUNGSGE (AT) 1999-05-06 — — EP disclosed
US-5718842-A MEASURING OXYGEN CONCENTRATION JOANNEUM RESERACH FORSCHUNGSGESELLSCHAFT MBH (AT) 1998-02-17 — — US disclosed
EP-0705897-A1 Luminescent dyes, active elements on their basis and method for measuring oxygen concentration using said luminescent dyes JOANNEUM RESEARCH Forschungsgesellschaft mbH (AT) 1996-04-10 — — EP 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-20120126214-A1 METHODS AND INTERMEDIATES FOR THE SYNTHESIS OF DIPYRRIN-SUBSTITUTED PORPHYRINIC MACROCYCLES HCCS, PPOX, DHPS STAT3 3766/4885STAT1 4231/4885TOP1 289/4885
US-20120082621-A1 SWALLOWTAIL MOTIFS FOR IMPARTING WATER SOLUBILITY TO PORPHYRINIC COMPOUNDS ALK, ACVRL1, ACVR1 STAT3 2034/4885STAT1 2300/4885TOP1 2612/4885
US-20110197969-A1 METHODS AND INTERMEDIATES FOR THE SYNTHESIS OF DIPYRRIN-SUBSTITUTED PORPHYRINIC MACROCYCLES HCCS, PPOX, DHPS STAT3 3766/4885STAT1 4231/4885TOP1 289/4885
US-20030031676-A1 Conjugate compounds for treating atheroma and other diseases NQO1, AKR7A2, CYP46A1 STAT3 3575/4885STAT1 3934/4885TOP1 316/4885
US-20040254383-A1 Reacting a dipyrromethane with an oxidant and a metal salt to produce the bis(dipyrrinato)metal complex; for making molecular memory devices, solar cells and light harvesting arrays PPOX, NCS1, CRY1 STAT3 750/4885STAT1 2028/4885TOP1 551/4885
US-20110152515-A1 NEW ROUTE TO FORMYL-PORPHYRINS PPOX, ALAD, UROD STAT3 4123/4885STAT1 4328/4885TOP1 1556/4885
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 4505/4885TOP1 1292/4885

“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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