SCHEMBL19254481

SCHEMBL19254481

CCOCCOCCOC(=O)NCCCCCCCCCCCCNC(=O)NCCCCCCNC(=O)Nc1nc(=O)cc(C)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.38
▸ TSHR P16473 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ACHE P22303 7/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ TUBB4A P04350 1/20 0.34
▸ TUBB P07437 1/20 0.34
▸ TUBA3C P0DPH7 1/20 0.34
▸ TUBA1B P68363 1/20 0.34
▸ TUBA4A P68366 1/20 0.34
▸ TUBB4B P68371 1/20 0.34
▸ TUBB3 Q13509 1/20 0.34
▸ TUBB2A Q13885 1/20 0.34
▸ TUBB8 Q3ZCM7 1/20 0.34
▸ TUBA3E Q6PEY2 1/20 0.34
▸ TUBA1A Q71U36 1/20 0.34
▸ TUBA1C Q9BQE3 1/20 0.34
▸ TUBB6 Q9BUF5 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
SCHEMBL13609067 0.93 EPHX2 (0.41) EPHX2ACHETUBB4ATUBBTUBA3C
SCHEMBL19254473 0.91 EPHX2 (0.38) EPHX2TSHRHSD17B10ALDH1A1
SCHEMBL29886699 0.90 EPHX2 (0.35) EPHX2ACHEALDH1A1TUBB4ATUBB
SCHEMBL15119390 0.89 ACHE (0.42) EPHX2ACHEALDH1A1
SCHEMBL21122923 0.89 TSHR (0.44) EPHX2TSHRCASP1CASP7HSD17B10
SCHEMBL29886435 0.86 EPHX2 (0.33) EPHX2
SCHEMBL12346230 0.85 EPHX2 (0.38) EPHX2ACHEALDH1A1
SCHEMBL16200443 0.84 EPHX2 (0.36) EPHX2TSHRACHETUBB4ATUBB
SCHEMBL10164589 0.84 EPHX2 (0.36) EPHX2TSHRACHEALDH1A1TUBB4A
SCHEMBL2278663 0.84 TSHR (0.39) TSHRCASP1CASP7HSD17B10ALDH1A1

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-20170233745-A1 UREIDOPYRIMIDONE SUPRAMOLECULAR COMPLEXES FOR COMPOUND DELIVERY INTO CELLS TU EINDHOVEN (NL) 2017-08-17 — — 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-20170233745-A1 UREIDOPYRIMIDONE SUPRAMOLECULAR COMPLEXES FOR COMPOUND DELIVERY INTO CELLS APOL1, UFL1, UBE2L6 EPHX2 2630/4885TSHR 3704/4885CASP1 2328/4885

“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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