SCHEMBL23917997

SCHEMBL23917997

O=C(NCCOCCOCCCCCCCl)OCCOCCOCCN(I)C(=O)c1ccc2c(c1)C1(OC2=O)c2ccc(N3CCC3)cc2Oc2cc(N3CCC3)ccc21

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ TTR P02766 1/20 0.32

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
SCHEMBL23651247 0.91 NT5E (0.39) NT5EKCNH2TTR
SCHEMBL31398727 0.91 NT5E (0.39) NT5EKCNH2TTR
SCHEMBL18526322 0.87 NT5E (0.41) NT5EKCNH2TTR
SCHEMBL24942998 0.79 OPRK1 (0.35) KCNH2TTR
SCHEMBL30112718 0.79 OPRK1 (0.35) KCNH2TTR
SCHEMBL18526325 0.79 NT5E (0.40) NT5EKCNH2TTR
SCHEMBL24942508 0.79 NT5E (0.40) NT5EKCNH2TTR
SCHEMBL30112567 0.79 NT5E (0.40) NT5EKCNH2TTR
SCHEMBL30112828 0.78 GSTP1 (0.37) KCNH2
SCHEMBL23651268 0.78 OPRM1 (0.35) NT5E

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-20210318293-A1 Photochromic xanthene fluorophores and their utility in live-cell imaging beyond the diffraction limit HOWARD HUGHES MEDICAL INSTITUTE (US) 2021-10-14 — — 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-20210318293-A1 Photochromic xanthene fluorophores and their utility in live-cell imaging beyond the diffraction limit XPA, KIF20A, KIF20B NT5E 1651/4885KCNH2 2807/4885TTR 4737/4885

“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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