SCHEMBL19732528

SCHEMBL19732528

CC(C)(C)OC(=O)NCCOCCNC(=O)[C@@H](N)CCO

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.48
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ CA1 P00915 8/20 0.40
▸ CA2 P00918 8/20 0.40
▸ CA12 O43570 7/20 0.40
▸ CA9 Q16790 7/20 0.40
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ EPHX1 P07099 1/20 0.38
▸ DPP7 Q9UHL4 2/20 0.38
▸ IDO1 P14902 1/20 0.36
▸ ADRB2 P07550 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ RRM1 P23921 1/20 0.35
▸ SPHK1 Q9NYA1 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
SCHEMBL29580120 0.86 GNAI3 (0.47) TDP1MEN1KMT2AGAACA1
SCHEMBL19934130 0.86 MEN1 (0.44) TDP1MEN1KMT2AGAACA1
SCHEMBL16757623 0.85 MEN1 (0.43) TDP1MEN1KMT2AGAACA1
SCHEMBL16757624 0.85 MEN1 (0.43) TDP1MEN1KMT2AGAACA1
SCHEMBL18543172 0.84 CA2 (0.42) TDP1MEN1KMT2AGAACA1
SCHEMBL30859233 0.84 GNAI3 (0.51) TDP1MEN1KMT2AGAACA1
SCHEMBL12196512 0.84 GNAI3 (0.51) TDP1MEN1KMT2AGAACA1
SCHEMBL13790284 0.84 DPP7 (0.54) TDP1MEN1KMT2AGAAMAOA
SCHEMBL8259792 0.84 GNAI3 (0.51) TDP1MEN1KMT2AGAACA1
SCHEMBL24192956 0.82 DPP7 (0.48) TDP1MEN1KMT2AGAACA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10434186-B2 Functionalized linear ligands and complexes thereof LUMIPHORE, INC. (US) 2019-10-08 — — US disclosed
US-20170360956-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF LUMIPHORE, INC. 2017-12-21 — — 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 (2 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-20170360956-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF CLTB, CLTA, EPCAM TDP1 3621/4885MEN1 2259/4885KMT2A 3740/4885
US-10434186-B2 Functionalized linear ligands and complexes thereof CLTB, CLTA, EPCAM TDP1 3621/4885MEN1 2259/4885KMT2A 3740/4885

“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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