SCHEMBL79554

SCHEMBL79554

Cc1cc(C)c(C2=C3C=CC(=N3)C(c3ccc(CO)cc3)=C3C=CC(=N3)C(c3c(C)cc(C)cc3C)=C3C=CC(=N3)C(c3ccc(CO)cc3)=C3C=CC2=N3)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAP2K4 P45985 1/20 0.35
▸ FYN P06241 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ APP P05067 2/20 0.30
▸ EGFR P00533 1/20 0.30
▸ CSF1R P07333 1/20 0.30

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
SCHEMBL7672033 0.84 MKNK1 (0.38) MAP2K4FYN
SCHEMBL4263836 0.82 — —
SCHEMBL1345000 0.82 NPC1 (0.35) ALDH1A1APP
SCHEMBL4017054 0.81 KDM4E (0.30) ALDH1A1
SCHEMBL451754 0.79 ALDH1A1 (0.33) ALDH1A1
SCHEMBL7906440 0.78 — —
SCHEMBL4258806 0.78 CYP3A4 (0.30) —
SCHEMBL80100 0.77 TDP1 (0.42) ALDH1A1EGFR
SCHEMBL4260918 0.77 FFAR1 (0.33) —
SCHEMBL4274597 0.75 ALDH1A1 (0.32) ALDH1A1

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 10 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
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 MAP2K4 4506/4885FYN 4164/4885ALDH1A1 4084/4885
US-20120126214-A1 METHODS AND INTERMEDIATES FOR THE SYNTHESIS OF DIPYRRIN-SUBSTITUTED PORPHYRINIC MACROCYCLES HCCS, PPOX, DHPS MAP2K4 4506/4885FYN 4164/4885ALDH1A1 4084/4885
US-20110197969-A1 METHODS AND INTERMEDIATES FOR THE SYNTHESIS OF DIPYRRIN-SUBSTITUTED PORPHYRINIC MACROCYCLES HCCS, PPOX, DHPS MAP2K4 4506/4885FYN 4164/4885ALDH1A1 4084/4885
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 MAP2K4 3794/4885FYN 3725/4885ALDH1A1 3041/4885

“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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