SCHEMBL19677591

SCHEMBL19677591

CC(=O)Cc1cc(I)c(Oc2cc(I)c(OCc3cn(CCOCCOCCn4cc(COc5c(I)cc(Oc6c(I)cc(CC(=O)O)cc6I)cc5I)nn4)nn3)c(I)c2)c(I)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 6/20 0.71
▸ ITGAV P06756 6/20 0.71
▸ THRB P10828 5/20 0.47
▸ THRA P10827 4/20 0.47
▸ PPARG P37231 4/20 0.47
▸ RXRA P19793 3/20 0.47
▸ LMNA P02545 3/20 0.41
▸ ADORA3 P0DMS8 3/20 0.41
▸ PDE4D Q08499 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ PGR P06401 2/20 0.41
▸ HTR1A P08908 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ HTR2B P41595 2/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ AR P10275 1/20 0.41

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
SCHEMBL19677585 0.85 ITGB3 (0.53) ITGB3ITGAVTHRBTHRAPPARG
SCHEMBL19677575 0.85 ITGB3 (0.61) ITGB3ITGAVTHRBTHRAPPARG
SCHEMBL19708683 0.83 THRB (0.57) ITGB3ITGAVTHRBTHRAPPARG
SCHEMBL21064809 0.82 ITGB3 (0.77) ITGB3ITGAVNCF1CYBBNOX5
SCHEMBL23868262 0.81 ITGB3 (0.71) ITGB3ITGAV
SCHEMBL21479481 0.79 ITGB3 (0.70) ITGB3ITGAVTHRBTHRAPPARG
SCHEMBL21100942 0.79 ITGB3 (0.70) ITGB3ITGAVNCF1CYBBNOX5
SCHEMBL19708684 0.79 ITGB3 (0.55) ITGB3ITGAVTHRBTHRAPPARG
SCHEMBL21100766 0.77 ITGB3 (0.64) ITGB3ITGAV
SCHEMBL23984251 0.77 ITGB3 (0.52) ITGB3ITGAVTHRBTHRAPPARG

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 ITGB3 4/4885ITGAV 3/4885THRB 5/4885

“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.

Send feedback