SCHEMBL453417

SCHEMBL453417

Cc1cc(C)c(-c2c3nc(c(-c4ccc(C#C[Si](C)(C)C)cc4)c4ccc([nH]4)c(-c4ccc(P(=O)(OC(C)(C)C)OC(C)(C)C)cc4)c4nc(c(-c5ccc(I)cc5)c5ccc2[nH]5)C=C4)C=C3)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 1/20 0.33
▸ GABRA1 P14867 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ GABRA3 P34903 1/20 0.32
▸ GABRA2 P47869 1/20 0.32
▸ GABRA6 Q16445 1/20 0.32
▸ TOP1 P11387 3/20 0.31
▸ CYCS P99999 3/20 0.31
▸ ENPP2 Q13822 1/20 0.31
▸ TERT O14746 2/20 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
SCHEMBL453418 1.00 ABCG2 (0.33) ABCG2GABRA1GABRG2GABRB3GABRA5
SCHEMBL7074695 0.87 TERT (0.38) ABCG2TOP1CYCSENPP2TERT
SCHEMBL7266749 0.86 TERT (0.38) ABCG2TOP1CYCSENPP2TERT
SCHEMBL450205 0.86 ABCG2 (0.42) ABCG2TOP1CYCSENPP2TERT
SCHEMBL452737 0.84 TOP1 (0.35) ABCG2GABRA1GABRG2GABRB3GABRA5
SCHEMBL5064811 0.82 TERT (0.42) ABCG2TOP1CYCSENPP2TERT
SCHEMBL5067509 0.81 TERT (0.41) ABCG2TOP1CYCSENPP2TERT
SCHEMBL6535053 0.78 TERT (0.43) ABCG2TOP1CYCSENPP2TERT
SCHEMBL6889810 0.78 TERT (0.43) ABCG2TOP1CYCSENPP2TERT
SCHEMBL6535055 0.78 TERT (0.43) ABCG2TOP1CYCSENPP2TERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445695-B2 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2013-05-21 — — US disclosed
US-20120322999-A1 Synthesis of Phosphono-Substituted Porphyrin Compounds for Attachment to Metal Oxide Surfaces LINDSEY JONATHAN S (US) 2012-12-20 — — US disclosed
US-8278439-B2 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2012-10-02 — — US disclosed
US-20120065391-A1 SYNTHESIS OF PHOSPHONO-SUBSTITUTED PORPHYRIN COMPOUNDS FOR ATTACHMENT TO METAL OXIDE SURFACES LINDSEY JONATHAN S (US) 2012-03-15 — — US disclosed
US-8080653-B2 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2011-12-20 — — US disclosed
US-20090234136-A1 SYNTHESIS OF PHOSPHONO-SUBSTITUTED PORPHYRIN COMPOUNDS FOR ATTACHMENT TO METAL OXIDE SURFACES LINDSEY JONATHAN S 2009-09-17 — — US disclosed
US-7553977-B2 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2009-06-30 — — US disclosed
US-20080269501-A1 Synthesis of Phosphono-Substituted Porphyrin Compounds for Attachment to Metal Oxide Surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2008-10-30 — — US disclosed
US-7314941-B2 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2008-01-01 — — US disclosed
US-7148361-B2 For the production of solar cells and molecular memory devices NORTH CAROLINA STATE UNIVERSITY (US) 2006-12-12 — — US disclosed
US-20050096465-A1 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces ZETTACORE, INC. 2005-05-05 — — 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 (5 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-20080269501-A1 Synthesis of Phosphono-Substituted Porphyrin Compounds for Attachment to Metal Oxide Surfaces PPOX, DAO, DDO ABCG2 4091/4885GABRA1 3637/4885GABRG2 4005/4885
US-20050096465-A1 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces PPOX, DAO, DDO ABCG2 4091/4885GABRA1 3637/4885GABRG2 4005/4885
US-20120322999-A1 Synthesis of Phosphono-Substituted Porphyrin Compounds for Attachment to Metal Oxide Surfaces PPOX, DAO, DDO ABCG2 4091/4885GABRA1 3637/4885GABRG2 4005/4885
US-20090234136-A1 SYNTHESIS OF PHOSPHONO-SUBSTITUTED PORPHYRIN COMPOUNDS FOR ATTACHMENT TO METAL OXIDE SURFACES PPOX, DAO, DDO ABCG2 4091/4885GABRA1 3637/4885GABRG2 4005/4885
US-20120065391-A1 SYNTHESIS OF PHOSPHONO-SUBSTITUTED PORPHYRIN COMPOUNDS FOR ATTACHMENT TO METAL OXIDE SURFACES PPOX, DAO, DDO ABCG2 4091/4885GABRA1 3637/4885GABRG2 4005/4885

“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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