SCHEMBL19677590

SCHEMBL19677590

CC(=O)Cc1cc(I)c(Oc2cc(I)c(OCCCNCCOCCOCCNCCCOc3c(I)cc(Oc4c(I)cc(CC(=O)O)cc4I)cc3I)c(I)c2)c(I)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 10/20 0.55
▸ THRA P10827 8/20 0.55
▸ ITGB3 P05106 6/20 0.55
▸ ITGAV P06756 6/20 0.55
▸ PPARG P37231 6/20 0.55
▸ RXRA P19793 3/20 0.55
▸ PCNA P12004 6/20 0.46
▸ LMNA P02545 5/20 0.46
▸ ADORA3 P0DMS8 3/20 0.46
▸ PDE4D Q08499 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ PGR P06401 2/20 0.46
▸ HTR1A P08908 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ HTR2B P41595 2/20 0.46
▸ ABCB11 O95342 2/20 0.46
▸ GABRA1 P14867 2/20 0.46
▸ GABRA2 P47869 2/20 0.46
▸ GABRB2 P47870 2/20 0.46

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
SCHEMBL19677592 0.99 THRB (0.54) THRBTHRAITGB3ITGAVPPARG
SCHEMBL19679633 0.86 THRB (0.61) THRBTHRAITGB3ITGAVPPARG
SCHEMBL23709875 0.86 THRB (0.61) THRBTHRAITGB3ITGAVPPARG
SCHEMBL19677580 0.86 THRB (0.48) THRBTHRAITGB3ITGAVPPARG
SCHEMBL25819213 0.85 THRB (0.70) THRBTHRAITGB3ITGAVPPARG
SCHEMBL19679634 0.85 THRB (0.60) THRBTHRAITGB3ITGAVPPARG
SCHEMBL19677576 0.85 THRB (0.47) THRBTHRAITGB3ITGAVPPARG
SCHEMBL23709876 0.85 THRB (0.62) THRBTHRAITGB3ITGAVPPARG
SCHEMBL12764506 0.84 THRB (0.57) THRBTHRAITGB3ITGAVPPARG
SCHEMBL21100868 0.80 ITGB3 (0.55) THRBTHRAITGB3ITGAVPPARG

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-20170348425-A1 NON-CLEAVABLE POLYMER CONJUGATED WITH ALPHA V BETA 3 INTEGRIN THYROID ANTAGONISTS NANOPHARMACEUTICALS, LLC 2017-12-07 — — 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-20170348425-A1 NON-CLEAVABLE POLYMER CONJUGATED WITH ALPHA V BETA 3 INTEGRIN THYROID ANTAGONISTS THRA, CD44, ITGAV THRB 5/4885THRA 1/4885ITGB3 4/4885

“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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