SCHEMBL80099

SCHEMBL80099

COC(=O)c1ccc(-c2c3nc(c(-c4c(C)cc(C)cc4C)c4ccc([nH]4)c(-c4ccc(C(=O)OC)cc4)c4nc(c(-c5c(C)cc(C)cc5C)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 1/20 0.62
▸ TOP1 P11387 3/20 0.55
▸ CYCS P99999 4/20 0.54
▸ ENPP2 Q13822 1/20 0.44
▸ RHEB Q15382 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ MMP13 P45452 1/20 0.41

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
SCHEMBL14706938 0.91 ABCG2 (0.53) ABCG2TOP1CYCSENPP2RHEB
SCHEMBL14706940 0.90 ABCG2 (0.51) ABCG2TOP1CYCSENPP2RHEB
SCHEMBL3892703 0.89 ABCG2 (0.71) ABCG2TOP1CYCSENPP2RHEB
SCHEMBL29583274 0.89 ABCG2 (0.71) ABCG2TOP1CYCSENPP2RHEB
SCHEMBL13411108 0.88 ABCG2 (0.49) ABCG2TOP1CYCSRHEBKDM4E
SCHEMBL28498163 0.88 ABCG2 (0.70) ABCG2TOP1CYCSENPP2RHEB
SCHEMBL30872331 0.88 ABCG2 (0.70) ABCG2TOP1CYCSENPP2RHEB
SCHEMBL28463987 0.88 ABCG2 (0.70) ABCG2TOP1CYCSENPP2RHEB
SCHEMBL28491269 0.88 ABCG2 (0.70) ABCG2TOP1CYCSENPP2RHEB
SCHEMBL28131499 0.88 ABCG2 (0.70) ABCG2TOP1CYCSENPP2RHEB

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 15 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-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-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-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
WO-2004109768-A2 METHODS AND INTERMEDIATES FOR THE SYNTHESIS OF DIPYRRIN-SUBSTITUTED PORPHYRINIC MACROCYCLES NORTH CAROLINA STATE UNIVERSITY (US) 2004-12-16 — — 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-20100200066-A1 METHODS AND INTERMEDIATES FOR THE SYNTHESIS OF DIPYRRIN-SUBSTITUTED PORPHYRINIC MACROCYCLES HCCS, PPOX, DHPS ABCG2 4424/4885TOP1 289/4885CYCS 1826/4885
US-20120126214-A1 METHODS AND INTERMEDIATES FOR THE SYNTHESIS OF DIPYRRIN-SUBSTITUTED PORPHYRINIC MACROCYCLES HCCS, PPOX, DHPS ABCG2 4424/4885TOP1 289/4885CYCS 1826/4885
US-20110197969-A1 METHODS AND INTERMEDIATES FOR THE SYNTHESIS OF DIPYRRIN-SUBSTITUTED PORPHYRINIC MACROCYCLES HCCS, PPOX, DHPS ABCG2 4424/4885TOP1 289/4885CYCS 1826/4885
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 ABCG2 4848/4885TOP1 551/4885CYCS 3730/4885

“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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