SCHEMBL15224089

SCHEMBL15224089

CCCOCCN1CCN(CCOC(C)=O)C(=O)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.41
▸ TSHR P16473 1/20 0.38
▸ SLC18A3 Q16572 1/20 0.37
▸ HRH1 P35367 1/20 0.34
▸ ADORA2B P29275 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ LMNA P02545 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ CHRM5 P08912 2/20 0.31
▸ CHRM1 P11229 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ CHRNB2 P17787 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ TBXA2R P21731 1/20 0.31
▸ CHRNB4 P30926 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
SCHEMBL27739341 0.85 ALDH1A1 (0.44) ALDH1A1TSHRSLC18A3ADORA2BKDM4E
SCHEMBL15223841 0.81 MTNR1A (0.38) ALDH1A1LMNA
SCHEMBL15224088 0.80 SLC18A3 (0.47) ALDH1A1TSHRSLC18A3HRH1KDM4E
SCHEMBL9424513 0.73 ALDH1A1 (0.45) ALDH1A1TSHRSLC18A3ADORA2BCHRM5
SCHEMBL136784 0.71 ALDH1A1 (0.70) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL133512 0.71 ALDH1A1 (0.70) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL273638 0.71 ALDH1A1 (0.70) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL27604960 0.71 ALDH1A1 (0.70) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL16865884 0.71 ALDH1A1 (0.70) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL22732162 0.71 ALDH1A1 (0.42) ALDH1A1SLC18A3ADORA2BLMNACHRM5

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 ALDH1A1 2514/4885TSHR 2473/4885SLC18A3 930/4885
US-20170333567-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L ALDH1A1 2514/4885TSHR 2473/4885SLC18A3 930/4885
US-20130224227-A1 NOVEL CONJUGATES OF CC-1065 ANALOGS AND BIFUNCTIONAL LINKERS PCNA, DCLRE1A, CDC5L ALDH1A1 2514/4885TSHR 2473/4885SLC18A3 930/4885

“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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