SCHEMBL87873

SCHEMBL87873

Cc1c2nc(c(C)c3ccc([nH]3)c(-c3ccc(C=O)cc3)c3nc(c(C)c4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.51
▸ CYCS P99999 4/20 0.50
▸ ABCG2 Q9UNQ0 1/20 0.49
▸ ENPP2 Q13822 1/20 0.49
▸ TERT O14746 5/20 0.49
▸ BRD4 O60885 1/20 0.40
▸ STAT3 P40763 1/20 0.39
▸ STAT1 P42224 1/20 0.39

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
SCHEMBL3476593 0.91 TOP1 (0.59) TOP1CYCSABCG2ENPP2TERT
SCHEMBL29477148 0.91 TOP1 (0.59) TOP1CYCSABCG2ENPP2TERT
SCHEMBL3290035 0.90 TERT (0.53) TOP1CYCSABCG2ENPP2TERT
SCHEMBL30022815 0.88 TOP1 (0.57) TOP1CYCSABCG2ENPP2TERT
SCHEMBL28629714 0.88 TOP1 (0.57) TOP1CYCSABCG2ENPP2TERT
SCHEMBL29141456 0.88 TOP1 (0.57) TOP1CYCSABCG2ENPP2TERT
SCHEMBL21257046 0.84 TOP1 (0.56) TOP1CYCSABCG2ENPP2TERT
SCHEMBL79276 0.84 TOP1 (0.47) TOP1CYCSABCG2ENPP2TERT
SCHEMBL21734341 0.82 TOP1 (0.62) TOP1CYCSABCG2ENPP2TERT
SCHEMBL768992 0.82 TERT (0.57) TOP1CYCSABCG2ENPP2TERT

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 8 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-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-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-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-20070191600-A1 for production of molecular memory devices, solar cells and light harvesting arrays NORTH CAROLINA STATE UNIVERSITY (US) 2007-08-16 — — 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 (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-20100200066-A1 METHODS AND INTERMEDIATES FOR THE SYNTHESIS OF DIPYRRIN-SUBSTITUTED PORPHYRINIC MACROCYCLES HCCS, PPOX, DHPS TOP1 289/4885CYCS 1826/4885ABCG2 4424/4885
US-20120126214-A1 METHODS AND INTERMEDIATES FOR THE SYNTHESIS OF DIPYRRIN-SUBSTITUTED PORPHYRINIC MACROCYCLES HCCS, PPOX, DHPS TOP1 289/4885CYCS 1826/4885ABCG2 4424/4885
US-20110197969-A1 METHODS AND INTERMEDIATES FOR THE SYNTHESIS OF DIPYRRIN-SUBSTITUTED PORPHYRINIC MACROCYCLES HCCS, PPOX, DHPS TOP1 289/4885CYCS 1826/4885ABCG2 4424/4885

“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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