SCHEMBL19632530

SCHEMBL19632530

CC(C)CCOCCN1CCN(CCOC(=O)CC(C)(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.35
▸ KMT2A Q03164 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ GAA P10253 3/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ TP53 P04637 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HRH2 P25021 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.32
▸ SLC29A1 Q99808 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CYP19A1 P11511 1/20 0.31

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
SCHEMBL15119966 0.78 CYP19A1 (0.45) TDP1KMT2AALDH1A1GAALMNA
SCHEMBL6898986 0.77 PSMB1 (0.45) KMT2AMEN1KDM4EHPGD
SCHEMBL27411351 0.75 USP2 (0.42) KMT2AALDH1A1MEN1SMN1; SMN2MAPT
SCHEMBL10156921 0.75 ALDH1A1 (0.52) TDP1KMT2AALDH1A1GAAMEN1
SCHEMBL24079489 0.74 KDM4E (0.32) ALDH1A1SMN1; SMN2KDM4E
SCHEMBL24060966 0.73 ALDH1A1 (0.45) TDP1KMT2AALDH1A1MEN1HRH3
SCHEMBL10074652 0.73 CYP19A1 (0.35) TDP1ALDH1A1TP53SMN1; SMN2HRH2
SCHEMBL12844635 0.72 CYP19A1 (0.41) TDP1ALDH1A1TP53SMN1; SMN2HRH2
SCHEMBL23205212 0.72 HTT (0.35) KMT2AALDH1A1MEN1HRH2HRH1
SCHEMBL22963141 0.72 KDM4E (0.37) KMT2AALDH1A1MEN1TP53SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180147289-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2018-05-31 — — US disclosed
US-20170333567-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2017-11-23 — — 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-20170333567-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L TDP1 290/4885KMT2A 1026/4885ALDH1A1 2514/4885
US-20180147289-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L TDP1 290/4885KMT2A 1026/4885ALDH1A1 2514/4885

“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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