SCHEMBL19971131

SCHEMBL19971131

CC(C)N=C(NCCCNCCCNC(=NC(C)C)NC(C)C)NC(C)C

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.46
EPHX1 P07099 1/20 0.34
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.30
GLA P06280 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL13380623 1.00 KDM1A (0.46) KDM1AEPHX1ALDH1A1MEN1GLA
SCHEMBL22068794 0.98 KDM1A (0.44) KDM1AEPHX1ALDH1A1
SCHEMBL20185667 0.96 KDM1A (0.43) KDM1AEPHX1ALDH1A1
SCHEMBL20185675 0.94 EPHX1 (0.41) KDM1AEPHX1ALDH1A1
SCHEMBL22068805 0.94 EPHX1 (0.37) KDM1AEPHX1ALDH1A1
SCHEMBL19971140 0.91 CYP2C19 (0.40) KDM1AEPHX1MEN1GLACYP2C19
SCHEMBL18230693 0.91 CYP2C19 (0.40) KDM1AEPHX1MEN1GLACYP2C19
SCHEMBL22068787 0.90 EPHX1 (0.41) KDM1AEPHX1ALDH1A1
SCHEMBL20185655 0.89 KDM4E (0.46) KDM1AALDH1A1MEN1KMT2A
SCHEMBL18986129 0.89 KDM4E (0.46) KDM1AALDH1A1MEN1KMT2A

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 KDM1A 200/4885EPHX1 2367/4885ALDH1A1 289/4885
US-20180148545-A1 CATALYST CONTAINING GUANIDINE GROUPS GMPS, RNMT, GMNN KDM1A 229/4885EPHX1 2252/4885ALDH1A1 444/4885

“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.