SCHEMBL663652

SCHEMBL663652

C=CCOc1cc(OCC=C)cc(-c2c3nc(c(-c4cc(OCC=C)cc(OCC=C)c4)c4ccc([nH]4)c(-c4cc(OCC=C)cc(OCC=C)c4)c4nc(c(-c5cc(OCC=C)cc(OCC=C)c5)c5ccc2[nH]5)C=C4)C=C3)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 5/20 0.41
▸ TOP1 P11387 2/20 0.40
▸ CYCS P99999 3/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ ENPP2 Q13822 1/20 0.39
▸ MAOA P21397 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL2429223 0.87 TOP1 (0.48) TERTTOP1CYCSABCG2ENPP2
SCHEMBL21919661 0.78 LMNA (0.39) TOP1MAOALMNASMN1; SMN2NPSR1
SCHEMBL18510097 0.78 CYCS (0.41) TERTTOP1CYCSABCG2ENPP2
SCHEMBL498495 0.76 TERT (0.51) TERTTOP1CYCSABCG2ENPP2
SCHEMBL29408468 0.76 TERT (0.51) TERTTOP1CYCSABCG2ENPP2
SCHEMBL6924219 0.74 STAT3 (0.53) TERTTOP1CYCSABCG2ENPP2
SCHEMBL15399779 0.74 TOP1 (0.49) TOP1CYCSABCG2ENPP2
SCHEMBL21918940 0.74 MEN1 (0.39) MAOALMNASMN1; SMN2NPSR1
SCHEMBL21919662 0.74 TYMS (0.39) TERTMAOALMNASMN1; SMN2NPSR1
SCHEMBL18510103 0.72 KDM4E (0.34) TERTENPP2MAOALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130315989-A1 METHOD FOR TREATING A PATIENT VIA PHOTODYNAMIC THERAPY COMPRISING A MACROMOLECULAR CAPSULE POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2013-11-28 — — US disclosed
US-20120045516-A1 COMPOSITION FOR PHOTODYNAMIC THERAPY COMPRISING A MACROMOLECULAR CAPSULE POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2012-02-23 — — 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 (2 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-20130315989-A1 METHOD FOR TREATING A PATIENT VIA PHOTODYNAMIC THERAPY COMPRISING A MACROMOLECULAR CAPSULE TYR, CD47, PPOX TERT 351/4885TOP1 694/4885CYCS 2210/4885
US-20120045516-A1 COMPOSITION FOR PHOTODYNAMIC THERAPY COMPRISING A MACROMOLECULAR CAPSULE APC, TYR, CD47 TERT 481/4885TOP1 1623/4885CYCS 1778/4885

“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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