SCHEMBL21100863

SCHEMBL21100863

CCCNC(COCCOCCOCCOCCOc1ccc(CNC(=N)N)cc1)OCCOCCNCCCNCCCOc1c(I)cc(Oc2c(I)cc(CC(=O)O)cc2I)cc1I

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 6/20 0.45
▸ ITGAV P06756 6/20 0.45
▸ THRA P10827 3/20 0.35
▸ THRB P10828 3/20 0.35
▸ PPARG P37231 3/20 0.35
▸ RXRA P19793 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ PCNA P12004 3/20 0.34
▸ ABCB11 O95342 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ AR P10275 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ GABRA1 P14867 1/20 0.34

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
SCHEMBL21101049 0.89 ITGB3 (0.54) ITGB3ITGAVTHRATHRBPPARG
SCHEMBL21100868 0.88 ITGB3 (0.55) ITGB3ITGAVTHRATHRBPPARG
SCHEMBL27446221 0.80 ITGB3 (0.48) ITGB3ITGAVTHRATHRBPPARG
SCHEMBL23709969 0.80 ITGB3 (0.54) ITGB3ITGAVTHRATHRBPPARG
SCHEMBL27446346 0.78 ITGB3 (0.44) ITGB3ITGAVTHRATHRBPPARG
SCHEMBL27446344 0.76 ITGB3 (0.46) ITGB3ITGAVTHRATHRBPPARG
SCHEMBL27446226 0.76 ITGB3 (0.43) ITGB3ITGAVTHRATHRBPPARG
SCHEMBL21100869 0.74 ITGB3 (0.46) ITGB3ITGAVTHRATHRBPPARG
SCHEMBL21101051 0.73 ITGB3 (0.46) ITGB3ITGAVTHRATHRBPPARG
SCHEMBL19677592 0.73 THRB (0.54) ITGB3ITGAVTHRATHRBPPARG

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-10328043-B1 Composition and method for dual targeting in treatment of neuroendocrine tumors NANOPHARMACEUTICALS, LLC. (US) 2019-06-25 — — 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-10328043-B1 Composition and method for dual targeting in treatment of neuroendocrine tumors THRB, TSHR, SLC6A2 ITGB3 12/4885ITGAV 14/4885THRA 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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