SCHEMBL13606402

SCHEMBL13606402

CC=C(C)C(=O)N(CCCCCC)C1CC(C)(C)N(C)C(C)(C)C1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35
SRD5A1 P18405 5/20 0.32
SRD5A2 P31213 1/20 0.32
UBE2M P61081 1/20 0.31
DCUN1D1 Q96GG9 1/20 0.31
GNAI3 P08754 2/20 0.30
GNAO1 P09471 2/20 0.30
GNAI1 P63096 2/20 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
SCHEMBL21881689 0.88 SRD5A1 (0.31) ADH1CADH1AADH4SRD5A1UBE2M
SCHEMBL28406573 0.85 UBE2M (0.36) ADH1CADH1AADH4SRD5A1UBE2M
SCHEMBL28398909 0.85 UBE2M (0.36) ADH1CADH1AADH4SRD5A1UBE2M
SCHEMBL28397553 0.85 UBE2M (0.36) ADH1CADH1AADH4SRD5A1UBE2M
SCHEMBL10721655 0.83 BCHE (0.33) ADH1CADH1AADH4SRD5A1SRD5A2
SCHEMBL28405051 0.83 UBE2M (0.36) ADH1CADH1AADH4SRD5A1SRD5A2
SCHEMBL13246442 0.79 UBE2M (0.32) ADH1CADH1AADH4SRD5A1UBE2M
SCHEMBL8849264 0.79 L3MBTL1 (0.33) SRD5A1UBE2MDCUN1D1
SCHEMBL9421811 0.79 L3MBTL1 (0.33) SRD5A1UBE2MDCUN1D1
SCHEMBL28407156 0.79 UBE2M (0.37) SRD5A1UBE2MDCUN1D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758462-B1 STABILIZING OF ORGANIC MATERIAL WITH AMINO-TRIAZINE BASED MANNICH-COMPOUNDS BOREALIS AG (AT) 2018-03-07 EP disclosed
US-9546261-B2 Stabilizing of organic material with amino-triazine based mannich-compounds BOREALIS AG (AT) 2017-01-17 US disclosed
US-20140235766-A1 Stabilizing of Organic Material with Amino-Triazine Based Mannich-Compounds BOREALIS AG (AT) 2014-08-21 US disclosed
US-20090312464-A1 Stabilizer mixtures GUGUMUS FRANCOIS 2009-12-17 US disclosed
US-7332105-B2 Synergistic UV absorber combination CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-02-19 US disclosed
US-7169835-B2 Stabilizer mixture CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-01-30 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 (1 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-20140235766-A1 Stabilizing of Organic Material with Amino-Triazine Based Mannich-Compounds PCNA, SOD1, UBE2M ADH1C 3493/4885ADH1A 3323/4885ADH4 1855/4885

“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.