SCHEMBL21114591

SCHEMBL21114591

CCCCC(CC)COc1ccccc1C(=O)N=N[Si](CCC)(N=NC(=O)c1ccccc1OCC(CC)CCCC)N=NC(=O)c1ccccc1OCC(CC)CCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
CYP3A4 P08684 4/20 0.50
CA2 P00918 1/20 0.50
LMNA P02545 4/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
TSHR P16473 4/20 0.38
MAPK1 P28482 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NR1I2 O75469 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2A P08913 1/20 0.38
MAPT P10636 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL21114623 0.90 ALDH1A1 (0.53) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL20981446 0.84 ALDH1A1 (0.54) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL23781718 0.83 ALDH1A1 (0.51) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL23781750 0.82 ALDH1A1 (0.52) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL21114684 0.81 ALDH1A1 (0.51) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL21114504 0.81 HCRTR1 (0.51) ALDH1A1LMNATSHRMAPK1MEN1
SCHEMBL23781743 0.80 ALDH1A1 (0.50) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL21114534 0.80 ALDH1A1 (0.50) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL23781781 0.80 ALDH1A1 (0.49) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL21114604 0.79 PRSS1 (0.39) ALDH1A1CYP3A4CA2LMNAPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10954361-B2 Curing agent for silicone rubber compounds NITROCHEMIE ASCHAU GMBH (DE) 2021-03-23 US disclosed
US-20190211187-A1 CURING AGENT FOR SILICONE RUBBER COMPOUNDS NITROCHEMIE ASCHAU GMBH (DE) 2019-07-11 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-10954361-B2 Curing agent for silicone rubber compounds CARM1, PRMT1, SRRM2 ALDH1A1 1173/4885CYP3A4 1513/4885CA2 4645/4885
US-20190211187-A1 CURING AGENT FOR SILICONE RUBBER COMPOUNDS CARM1, PRMT1, SRRM2 ALDH1A1 1173/4885CYP3A4 1513/4885CA2 4645/4885

“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.