SCHEMBL16489905

SCHEMBL16489905

CCCCNC(=O)OC(COc1ccc(C2(c3ccc(OCC4CO4)cc3)c3ccccc3-c3ccccc32)cc1)COc1ccc(C2(c3ccc(OCC4CO4)cc3)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 2/20 0.40
▸ MGLL Q99685 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.33
▸ ACHE P22303 1/20 0.33

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
SCHEMBL16492077 0.97 BCHE (0.38) BCHEMGLLTDP1MEN1KMT2A
SCHEMBL21024930 0.82 ALDH1A1 (0.36) BCHEALDH1A1SMN1; SMN2NPSR1
SCHEMBL23031896 0.81 CTSK (0.36) BCHEALDH1A1SMN1; SMN2NPSR1
SCHEMBL16489892 0.81 HPGD (0.55) BCHEMGLLMEN1KMT2AALDH1A1
SCHEMBL20997933 0.80 ALDH1A1 (0.34) BCHEALDH1A1SMN1; SMN2NPSR1
SCHEMBL21024929 0.78 CTSK (0.33) BCHEALDH1A1SMN1; SMN2NPSR1
SCHEMBL13385071 0.77 TDP1 (0.48) TDP1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1108679 0.77 TDP1 (0.48) TDP1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL13827403 0.77 TDP1 (0.58) TDP1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL157321 0.77 TDP1 (0.58) TDP1MEN1KMT2AALDH1A1SMN1; SMN2

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-20150051316-A1 EPOXY COMPOUND HAVING ALKOXYSILYL GROUP, COMPOSITION AND HARDENED MATERIAL COMPRISING SAME, USE FOR SAME, AND PRODUCTION METHOD FOR EPOXY COMPOUND HAVING ALKOXYSILYL GROUP KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2015-02-19 — — 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-20150051316-A1 EPOXY COMPOUND HAVING ALKOXYSILYL GROUP, COMPOSITION AND HARDENED MATERIAL COMPRISING SAME, USE FOR SAME, AND PRODUCTION METHOD FOR EPOXY COMPOUND HAVING ALKOXYSILYL GROUP ESD, ELL, ASH2L BCHE 2128/4885MGLL 603/4885TDP1 2059/4885

“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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