SCHEMBL2560730

SCHEMBL2560730

CC1CN(CCC=O)CC(C)O1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.50
EBP Q15125 1/20 0.50
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTT P42858 3/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
BLM P54132 1/20 0.35
MEN1 O00255 1/20 0.35
PDK1 Q15118 1/20 0.35
LMNA P02545 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
SCHEMBL4745932 0.78 SIGMAR1 (0.44) SIGMAR1EBPKDM4EALDH1A1TDP1
SCHEMBL4000984 0.78 SIGMAR1 (0.44) SIGMAR1EBPKDM4EALDH1A1TDP1
SCHEMBL2562460 0.77 KDM1A (0.43) SIGMAR1EBPPDK1
SCHEMBL2561103 0.77 HRH3 (0.37) KDM4EALDH1A1KMT2APOLBMEN1
SCHEMBL296970 0.76 SIGMAR1 (0.55) SIGMAR1EBPKDM4EALDH1A1TDP1
SCHEMBL296048 0.76 SIGMAR1 (0.55) SIGMAR1EBPKDM4EALDH1A1TDP1
SCHEMBL4024634 0.76 SIGMAR1 (0.55) SIGMAR1EBPKDM4EALDH1A1TDP1
SCHEMBL296969 0.76 SIGMAR1 (0.55) SIGMAR1EBPKDM4EALDH1A1TDP1
SCHEMBL15331505 0.74 KDM1A (0.36) PDK1
SCHEMBL29614975 0.74 SIGMAR1 (0.59) SIGMAR1EBPKDM4EALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3283550-B1 CATALYST CONTAINING AMIDINE GROUPS SIKA TECH AG (CH) 2020-12-16 EP disclosed
EP-3294803-B1 GUANIDINE GROUP CONTAINING CATALYST SIKA TECH AG (CH) 2020-12-09 EP disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
US-10414875-B2 Catalyst containing guanidine groups SIKA TECHNOLOGY AG (CH) 2019-09-17 US disclosed
US-10392480-B2 Catalyst containing amidine groups SIKA TECHNOLOGY AG (CH) 2019-08-27 US disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20180171082-A1 CATALYST CONTAINING AMIDINE GROUPS SIKA TECHNOLOGY AG (CH) 2018-06-21 US disclosed
US-20180148545-A1 CATALYST CONTAINING GUANIDINE GROUPS SIKA TECHNOLOGY AG (CH) 2018-05-31 US disclosed
EP-3294803-A1 CATALYST CONTAINING GUANIDINE GROUPS Sika Technology AG (CH) 2018-03-21 EP disclosed
WO-2016180840-A1 CATALYST CONTAINING GUANIDINE GROUPS SIKA TECHNOLOGY AG (CH) 2016-11-17 WO disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
WO-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 WO 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-10414875-B2 Catalyst containing guanidine groups GMPS, GMNN, RNMT SIGMAR1 764/4885EBP 3715/4885KDM4E 998/4885
US-20180148545-A1 CATALYST CONTAINING GUANIDINE GROUPS GMPS, RNMT, GMNN SIGMAR1 1068/4885EBP 3674/4885KDM4E 1003/4885

“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.