SCHEMBL15224088

SCHEMBL15224088

CCCOCCN1CCN(CCOC(C)=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 1/20 0.47
▸ ALDH1A1 P00352 7/20 0.44
▸ TSHR P16473 1/20 0.42
▸ HRH1 P35367 2/20 0.42
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SLC29A1 Q99808 2/20 0.38
▸ KDM4E B2RXH2 3/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HRH2 P25021 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ PAOX Q6QHF9 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL15224086 0.88 ALDH1A1 (0.50) SLC18A3ALDH1A1TSHRHRH1CYP2D6
SCHEMBL8312795 0.87 ALDH1A1 (0.55) SLC18A3ALDH1A1TSHRHRH1SLC29A1
SCHEMBL9328257 0.87 — —
SCHEMBL20609092 0.87 SLC18A3 (0.56) SLC18A3ALDH1A1TSHRHRH1SLC29A1
SCHEMBL9660752 0.84 ALDH1A1 (0.52) SLC18A3ALDH1A1HRH1HRH2PAOX
SCHEMBL8148114 0.83 SLC18A3 (0.50) SLC18A3ALDH1A1TSHRHRH1SLC29A1
SCHEMBL22360772 0.82 PAOX (0.40) ALDH1A1HRH1CYP2D6CYP2C19KDM4E
SCHEMBL14500225 0.81 SLC18A3 (0.51) SLC18A3ALDH1A1TSHRCYP2D6CYP2C19
SCHEMBL11858444 0.81 SLC18A3 (0.51) SLC18A3ALDH1A1TSHRSLC29A1KDM4E
SCHEMBL15224089 0.80 ALDH1A1 (0.41) SLC18A3ALDH1A1TSHRHRH1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170333567-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2017-11-23 — — US disclosed
US-20170274090-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2017-09-28 — — US disclosed
US-9629924-B2 Conjugates of CC-1065 analogs and bifunctional linkers SYNTARGA BV (NL) 2017-04-25 — — US disclosed
US-20130224227-A1 NOVEL CONJUGATES OF CC-1065 ANALOGS AND BIFUNCTIONAL LINKERS BYONDIS B.V. (NL) 2013-08-29 — — 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 (3 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-20170274090-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L SLC18A3 930/4885ALDH1A1 2514/4885TSHR 2473/4885
US-20170333567-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L SLC18A3 930/4885ALDH1A1 2514/4885TSHR 2473/4885
US-20130224227-A1 NOVEL CONJUGATES OF CC-1065 ANALOGS AND BIFUNCTIONAL LINKERS PCNA, DCLRE1A, CDC5L SLC18A3 930/4885ALDH1A1 2514/4885TSHR 2473/4885

“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.

Send feedback