SCHEMBL20185682

SCHEMBL20185682

C1CCC(N=C(NCCNCCNC(=NC2CCCCC2)NC2CCCCC2)NC2CCCCC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.61
HTT P42858 1/20 0.38
EPHX1 P07099 5/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL17187529 1.00 SIGMAR1 (0.61) SIGMAR1HTTEPHX1ALDH1A1KDM4E
SCHEMBL17187519 1.00 SIGMAR1 (0.61) SIGMAR1HTTEPHX1ALDH1A1KDM4E
SCHEMBL18740827 0.95 SIGMAR1 (0.68) SIGMAR1EPHX1ALDH1A1KDM4E
SCHEMBL19971100 0.94 SIGMAR1 (0.54) SIGMAR1EPHX1
SCHEMBL22068841 0.92 SIGMAR1 (0.56) SIGMAR1EPHX1
SCHEMBL18230679 0.91 SIGMAR1 (0.54) SIGMAR1EPHX1ALDH1A1KDM4E
SCHEMBL18230677 0.91 SIGMAR1 (0.54) SIGMAR1EPHX1ALDH1A1KDM4E
SCHEMBL19971088 0.90 SIGMAR1 (0.58) SIGMAR1EPHX1
SCHEMBL12871448 0.90 SIGMAR1 (0.50) SIGMAR1HTTEPHX1
SCHEMBL12871445 0.90 SIGMAR1 (0.50) SIGMAR1HTTEPHX1

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
CN-113265053-A Catalyst having polysiloxane structural units for curable compositions SIKA技术股份公司 2021-08-17 CN disclosed
CN-108473815-B Catalyst having polysiloxane structural units for curable compositions SIKA技术股份公司 2021-05-28 CN disclosed
EP-3795649-A2 CATALYST WITH POLYSILOXANE STRUCTURE UNIT FOR CURABLE COMPOSITIONS SIKA TECHNOLOGY AG (CH) 2021-03-24 EP disclosed
EP-3294803-B1 GUANIDINE GROUP CONTAINING CATALYST SIKA TECH AG (CH) 2020-12-09 EP disclosed
US-10836868-B2 Catalyst having a polysiloxane structural unit for hardenable compositions SIKA TECHNOLOGY AG (CH) 2020-11-17 US disclosed
EP-3131992-B1 FAST CURING MIGRATION-FREE COMPOSITION BASED ON POLYMERS CONTAINING SILANE GROUPS SIKA TECH AG (CH) 2020-06-17 EP disclosed
US-10414875-B2 Catalyst containing guanidine groups SIKA TECHNOLOGY AG (CH) 2019-09-17 US disclosed
US-20180327549-A1 CATALYST HAVING A POLYSILOXANE STRUCTURAL UNIT FOR HARDENABLE COMPOSITIONS SIKA TECHNOLOGY AG (CH) 2018-11-15 US disclosed
US-20180148545-A1 CATALYST CONTAINING GUANIDINE GROUPS SIKA TECHNOLOGY AG (CH) 2018-05-31 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-10414875-B2 Catalyst containing guanidine groups GMPS, GMNN, RNMT SIGMAR1 764/4885HTT 2208/4885EPHX1 2367/4885
US-20180148545-A1 CATALYST CONTAINING GUANIDINE GROUPS GMPS, RNMT, GMNN SIGMAR1 1068/4885HTT 1880/4885EPHX1 2252/4885

“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.