SCHEMBL19971088

SCHEMBL19971088

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

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.58
EPHX1 P07099 10/20 0.43
EPHX2 P34913 3/20 0.40

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
SCHEMBL22068841 0.98 SIGMAR1 (0.56) SIGMAR1EPHX1EPHX2
SCHEMBL19971100 0.97 SIGMAR1 (0.54) SIGMAR1EPHX1EPHX2
SCHEMBL20185668 0.95 SIGMAR1 (0.56) SIGMAR1EPHX1EPHX2
SCHEMBL20473411 0.95 SIGMAR1 (0.63) SIGMAR1EPHX1EPHX2
Hydrochloric Acid SCHEMBL9429220 0.94 SIGMAR1 (0.54) SIGMAR1EPHX1EPHX2
SCHEMBL20473401 0.92 SIGMAR1 (0.63) SIGMAR1EPHX1EPHX2
SCHEMBL18230694 0.91 SIGMAR1 (0.51) SIGMAR1EPHX1EPHX2
SCHEMBL18230696 0.91 SIGMAR1 (0.51) SIGMAR1EPHX1EPHX2
SCHEMBL22068780 0.90 SIGMAR1 (0.61) SIGMAR1EPHX1EPHX2
SCHEMBL22068776 0.90 SIGMAR1 (0.61) SIGMAR1EPHX1EPHX2

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
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
EP-3390552-A1 CATALYST HAVING A POLYSILOXANE STRUCTURAL UNIT FOR HARDENABLE COMPOSITIONS Sika Technology AG (CH) 2018-10-24 EP 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

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 764/4885EPHX1 2367/4885EPHX2 1608/4885
US-20180148545-A1 CATALYST CONTAINING GUANIDINE GROUPS GMPS, RNMT, GMNN SIGMAR1 1068/4885EPHX1 2252/4885EPHX2 1467/4885

“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.