SCHEMBL21479481

SCHEMBL21479481

Cc1cc(Oc2c(I)cc(CC(=O)O)cc2I)cc(I)c1OCc1cn(CCOCCOCCOCCOCCOCCOCCOc2ccc(CNC(=N)N)cc2)nn1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 6/20 0.70
▸ ITGAV P06756 6/20 0.70
▸ NCF1 P14598 5/20 0.41
▸ ABCG2 Q9UNQ0 6/20 0.39
▸ CYBB P04839 1/20 0.38
▸ NOX5 Q96PH1 1/20 0.38
▸ MMP2 P08253 2/20 0.37
▸ MMP9 P14780 2/20 0.37
▸ MMP8 P22894 2/20 0.37
▸ MMP13 P45452 2/20 0.37
▸ ABCC1 P33527 2/20 0.37
▸ FOLH1 Q04609 1/20 0.37
▸ THRA P10827 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ RXRA P19793 1/20 0.36
▸ PPARG P37231 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
SCHEMBL21100942 0.96 ITGB3 (0.70) ITGB3ITGAVNCF1ABCG2CYBB
SCHEMBL21064809 0.95 ITGB3 (0.77) ITGB3ITGAVNCF1ABCG2CYBB
SCHEMBL21475355 0.84 ITGB3 (0.60) ITGB3ITGAVNCF1ABCG2ABCC1
SCHEMBL29107238 0.84 ITGB3 (0.61) ITGB3ITGAVFOLH1THRATHRB
SCHEMBL23868262 0.84 ITGB3 (0.71) ITGB3ITGAVABCG2MMP2MMP9
SCHEMBL21100765 0.81 ITGB3 (0.60) ITGB3ITGAVNCF1ABCG2ABCC1
SCHEMBL21100766 0.80 ITGB3 (0.64) ITGB3ITGAVABCG2ABCC1
SCHEMBL19677591 0.79 ITGB3 (0.71) ITGB3ITGAVNCF1CYBBNOX5
SCHEMBL23984251 0.75 ITGB3 (0.52) ITGB3ITGAVTHRATHRBRXRA
SCHEMBL21100868 0.75 ITGB3 (0.55) ITGB3ITGAVTHRATHRBRXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190314314-A1 COMPOSITION AND METHOD FOR DUAL TARGETING IN TREATMENT OF NEUROENDOCRINE TUMORS NANOPHARMACEUTICALS, LLC 2019-10-17 — — 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 (1 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-20190314314-A1 COMPOSITION AND METHOD FOR DUAL TARGETING IN TREATMENT OF NEUROENDOCRINE TUMORS THRB, TSHR, SLC6A2 ITGB3 12/4885ITGAV 14/4885NCF1 1884/4885

“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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