SCHEMBL2421671

SCHEMBL2421671

CC(CC(C)(C)C=O)c1ccc(C(C)CC(C)(C)C=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 3/20 0.40
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.36
TYR P14679 1/20 0.35
RIPK1 Q13546 1/20 0.35
STAT3 P40763 1/20 0.33
ACHE P22303 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
CYP2D6 P10635 2/20 0.32
HIF1A Q16665 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL20342293 0.90 RIPK1 (0.48) RIPK1TAAR1
SCHEMBL19971104 0.90 RIPK1 (0.48) RIPK1TAAR1
SCHEMBL18575544 0.84 HDAC4 (0.38) GRIA4TSHRTP53TYRRIPK1
SCHEMBL5918492 0.74 RIPK1 (0.46) GRIA4RIPK1ACHEESR1ESR2
SCHEMBL731115 0.71
SCHEMBL23956932 0.70 TAAR1 (0.39) GRIA4RIPK1ACHEESR1ESR2
SCHEMBL166235 0.69 GRIA4 (0.51) GRIA4TSHRTP53TYRACHE
SCHEMBL5413888 0.69 TYR (0.45) TSHRTP53TYRACHECYP2D6
SCHEMBL10831182 0.67 GRIA4 (0.38) GRIA4TSHRTP53STAT3ACHE
SCHEMBL5803512 0.67 GRIA4 (0.49) GRIA4TSHRTP53RIPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3283550-B1 CATALYST CONTAINING AMIDINE GROUPS SIKA TECH AG (CH) 2020-12-16 EP disclosed
EP-3294803-B1 GUANIDINE GROUP CONTAINING CATALYST SIKA TECH AG (CH) 2020-12-09 EP disclosed
US-10414875-B2 Catalyst containing guanidine groups SIKA TECHNOLOGY AG (CH) 2019-09-17 US disclosed
US-10392480-B2 Catalyst containing amidine groups SIKA TECHNOLOGY AG (CH) 2019-08-27 US disclosed
EP-3344678-B1 AMINE FOR LOW-EMISSION EPOXY RESIN COMPOSITIONS SIKA TECH AG (CH) 2019-07-03 EP disclosed
EP-3180382-B1 AMINE FOR LOW-EMISSION EPOXY RESIN COMPOSITIONS SIKA TECH AG (CH) 2018-10-10 EP disclosed
US-20180171082-A1 CATALYST CONTAINING AMIDINE GROUPS SIKA TECHNOLOGY AG (CH) 2018-06-21 US disclosed
US-20180148545-A1 CATALYST CONTAINING GUANIDINE GROUPS SIKA TECHNOLOGY AG (CH) 2018-05-31 US disclosed
EP-3138864-A1 AMINE FOR LOW-EMISSION EPOXY RESIN COMPOSITIONS Sika Technology AG (CH) 2017-03-08 EP disclosed
US-8430989-B2 Hydroxyaldimine-containing polyurethane composition SIKA TECHNOLOGY AG (CH) 2013-04-30 US disclosed
US-20110214810-A1 HYDROXYALDIMINE-CONTAINING POLYURETHANE COMPOSITION SIKA TECHNOLOGY AG (CH) 2011-09-08 US disclosed
EP-2194081-B1 Polyurethane composition comprising hydroxyaldimines SIKA TECHNOLOGY AG (CH) 2011-09-07 EP disclosed
EP-2194081-A1 Polyurethane composition comprising hydroxyaldimines Sika Technology AG (CH) 2010-06-09 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 (3 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-20110214810-A1 HYDROXYALDIMINE-CONTAINING POLYURETHANE COMPOSITION ADH1A, ODC1, ADH1C GRIA4 1304/4885TSHR 4792/4885TP53 4560/4885
US-10414875-B2 Catalyst containing guanidine groups GMPS, GMNN, RNMT GRIA4 923/4885TSHR 4857/4885TP53 3797/4885
US-20180148545-A1 CATALYST CONTAINING GUANIDINE GROUPS GMPS, RNMT, GMNN GRIA4 1380/4885TSHR 4847/4885TP53 3798/4885

“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.