SCHEMBL78729

SCHEMBL78729

Cc1cc(C)c(-c2c3nc(c(-c4ccc(C=O)cc4)c4ccc([nH]4)c(-c4c(C)cc(C)cc4C)c4nc(cc5ccc2[nH]5)C=C4)C=C3)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.50
▸ STAT1 P42224 1/20 0.50
▸ TOP1 P11387 4/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ CYCS P99999 3/20 0.39
▸ ENPP2 Q13822 1/20 0.38
▸ TERT O14746 5/20 0.38
▸ DHODH Q02127 1/20 0.34

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
SCHEMBL2787209 0.98 STAT3 (0.52) STAT3STAT1TOP1ABCG2CYCS
SCHEMBL2791753 0.94 STAT3 (0.45) STAT3STAT1TOP1ABCG2CYCS
SCHEMBL13445769 0.94 STAT3 (0.45) STAT3STAT1TOP1ABCG2CYCS
SCHEMBL2791756 0.94 STAT3 (0.45) STAT3STAT1TOP1ABCG2CYCS
SCHEMBL79276 0.90 TOP1 (0.47) TOP1ABCG2CYCSENPP2TERT
SCHEMBL93007 0.89 STAT3 (0.56) STAT3STAT1TOP1ABCG2CYCS
SCHEMBL162069 0.86 STAT3 (0.53) STAT3STAT1TOP1ABCG2CYCS
SCHEMBL13411109 0.86 STAT3 (0.38) STAT3STAT1TOP1ABCG2CYCS
SCHEMBL13970977 0.86 STAT3 (0.69) STAT3STAT1TOP1ABCG2CYCS
SCHEMBL6048211 0.86 STAT3 (0.69) STAT3STAT1TOP1ABCG2CYCS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20120126214-A1 METHODS AND INTERMEDIATES FOR THE SYNTHESIS OF DIPYRRIN-SUBSTITUTED PORPHYRINIC MACROCYCLES UNITED STATES DEPARTMENT OF ENERGY 2012-05-24 — — 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-8129520-B2 Methods and intermediates for the synthesis of dipyrrin-substituted porphyrinic macrocycles NORTH CAROLINA STATE UNIVERSITY (US) 2012-03-06 — — 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-20110197969-A1 METHODS AND INTERMEDIATES FOR THE SYNTHESIS OF DIPYRRIN-SUBSTITUTED PORPHYRINIC MACROCYCLES UNITED STATES DEPARTMENT OF ENERGY 2011-08-18 — — 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-7947828-B2 Methods and intermediates for the synthesis of dipyrrin-substituted porphyrinic macrocycles NORTH CAROLINA STATE UNIVERSITY (US) 2011-05-24 — — US disclosed
US-7947828-B2 Methods and intermediates for the synthesis of dipyrrin-substituted porphyrinic macrocycles NORTH CAROLINA STATE UNIVERSITY (US) 2011-05-24 — — US disclosed
US-20100200066-A1 METHODS AND INTERMEDIATES FOR THE SYNTHESIS OF DIPYRRIN-SUBSTITUTED PORPHYRINIC MACROCYCLES UNITED STATE DEPARTMENT OF ENERGY 2010-08-12 — — US disclosed
US-20100200066-A1 METHODS AND INTERMEDIATES FOR THE SYNTHESIS OF DIPYRRIN-SUBSTITUTED PORPHYRINIC MACROCYCLES UNITED STATE DEPARTMENT OF ENERGY 2010-08-12 — — US disclosed
US-7723513-B2 for production of molecular memory devices, solar cells and light harvesting arrays NORTH CAROLINA STATE UNIVERSITY (US) 2010-05-25 — — US disclosed
US-7723513-B2 for production of molecular memory devices, solar cells and light harvesting arrays NORTH CAROLINA STATE UNIVERSITY (US) 2010-05-25 — — US disclosed
US-7332599-B2 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 NORTH CAROLINA STATE UNIVERSITY (US) 2008-02-19 — — US disclosed
US-7332599-B2 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 NORTH CAROLINA STATE UNIVERSITY (US) 2008-02-19 — — US disclosed
US-20070191600-A1 for production of molecular memory devices, solar cells and light harvesting arrays NORTH CAROLINA STATE UNIVERSITY (US) 2007-08-16 — — US disclosed
US-20070191600-A1 for production of molecular memory devices, solar cells and light harvesting arrays NORTH CAROLINA STATE UNIVERSITY (US) 2007-08-16 — — 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

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-20100200066-A1 METHODS AND INTERMEDIATES FOR THE SYNTHESIS OF DIPYRRIN-SUBSTITUTED PORPHYRINIC MACROCYCLES HCCS, PPOX, DHPS STAT3 3766/4885STAT1 4231/4885TOP1 289/4885
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-20110197969-A1 METHODS AND INTERMEDIATES FOR THE SYNTHESIS OF DIPYRRIN-SUBSTITUTED PORPHYRINIC MACROCYCLES HCCS, PPOX, DHPS STAT3 3766/4885STAT1 4231/4885TOP1 289/4885
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

“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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