SCHEMBL11070291

SCHEMBL11070291

CC(=O)Nc1ccc(OCCOCCO)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.69
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
LMNA P02545 2/20 0.61
CYP1A2 P05177 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
MAPT P10636 4/20 0.61
APP P05067 2/20 0.58
HTT P42858 2/20 0.52
TBXAS1 P24557 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
RAB9A P51151 2/20 0.50
HSD17B10 Q99714 1/20 0.50
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
ADRB3 P13945 1/20 0.48
OPRK1 P41145 1/20 0.48
CYP2D6 P10635 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL15223764 1.00 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1LMNACYP1A2
Diamfenetide SCHEMBL168664 0.94 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1LMNACYP1A2
SCHEMBL92223 0.90 ALDH1A1 (0.78) ALDH1A1KMT2AMEN1LMNACYP1A2
SCHEMBL11111056 0.88 ALDH1A1 (0.80) ALDH1A1KMT2AMEN1LMNACYP1A2
SCHEMBL25395866 0.88 KMT2A (0.71) ALDH1A1KMT2AMEN1LMNACYP1A2
SCHEMBL10889365 0.88 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1LMNACYP1A2
SCHEMBL12287264 0.88 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1LMNACYP1A2
SCHEMBL23744956 0.86 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1LMNACYP1A2
SCHEMBL14113146 0.86 KMT2A (0.73) ALDH1A1KMT2AMEN1LMNACYP1A2
SCHEMBL9795852 0.84 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1LMNACYP1A2

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 9 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-9815784-B2 CC-1065 analogs and their conjugates SYNTARGA B.V. (NL) 2017-11-14 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
US-20110207767-A1 Novel cc-1065 Analogs and Their Conjugates BYONDIS B.V. (NL) 2011-08-25 US disclosed
US-4460588-A NEMATOCIDES ICI AUSTRALIA LIMITED (AU) 1984-07-17 US disclosed
EP-0015124-B1 PARASITICIDAL HETEROCYCLIC ETHER DERIVATIVES, PROCESSES FOR THE MANUFACTURE THEREOF AND COMPOSITIONS THEREOF ICI AUSTRALIA LIMITED (AU) 1983-06-01 EP disclosed
EP-0015124-A1 Parasiticidal heterocyclic ether derivatives, processes for the manufacture thereof and compositions thereof ICI AUSTRALIA LIMITED (AU) 1980-09-03 EP 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 (4 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 2514/4885KMT2A 1026/4885MEN1 1237/4885
US-20170333567-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L ALDH1A1 2514/4885KMT2A 1026/4885MEN1 1237/4885
US-20110207767-A1 Novel cc-1065 Analogs and Their Conjugates PCNA, CDC5L, TOP1 ALDH1A1 2178/4885KMT2A 1087/4885MEN1 969/4885
US-20130224227-A1 NOVEL CONJUGATES OF CC-1065 ANALOGS AND BIFUNCTIONAL LINKERS PCNA, DCLRE1A, CDC5L ALDH1A1 2514/4885KMT2A 1026/4885MEN1 1237/4885

“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.