SCHEMBL4893048

SCHEMBL4893048

COCCOCCOC(=O)C=CC#N

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 2/20 0.42
HIF1A Q16665 2/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.38
ATM Q13315 1/20 0.37
HCAR2 Q8TDS4 4/20 0.35
THRB P10828 1/20 0.33
ADORA2A P29274 1/20 0.33
APP P05067 3/20 0.33
ABCB11 O95342 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADRA2B P18089 1/20 0.32
OPRD1 P41143 1/20 0.32
SCN5A Q14524 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
SCHEMBL487322 0.94 ATM (0.41) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL4895739 0.92 ALDH1A1 (0.39) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL3786038 0.91 TSHR (0.50) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL3791086 0.91 TSHR (0.50) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL4889687 0.86 TSHR (0.47) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL4888226 0.86 HCAR2 (0.47) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL4888287 0.86 HCAR2 (0.47) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL5182457 0.85 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL10713340 0.85 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL5180107 0.85 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4011993-A1 ADHESIVE COMPOSITION WHICH EASILY DISINTEGRATES IN WATER Toagosei Co., Ltd. (JP) 2022-06-15 EP disclosed
EP-3126321-B1 PROCESS FOR PREPARING 1,1-DISUBSTITUTED ETHYLENE MONOMERS AFINITICA TECH S L (ES) 2018-03-07 EP disclosed
US-9670145-B2 Process for preparing 1,1-disubstituted ethylene monomers AFINITICA TECHNOLOGIES, S. L. (ES) 2017-06-06 US disclosed
US-20170022151-A1 PROCESS FOR PREPARING 1,1-DISUBSTITUTED ETHYLENE MONOMERS AFINITICA TECHNOLOGIES, S. L. (ES) 2017-01-26 US disclosed
EP-2927209-A1 Process for preparing 1,1-disubstituted ethylenic monomers Afinitica Technologies, S. L. (ES) 2015-10-07 EP disclosed
US-20080293872-A1 ADHESIVES, SEALANTS AND COATINGS CONTAINING GLASS PARTICLES AS A FILLER HENKEL AG & CO. KGAA (DE) 2008-11-27 US disclosed
US-20080287574-A1 ADHESIVES, SEALANTS AND COATINGS CONTAINING GLASS PARTICLES AS A FILLER HENKEL AG & CO. KGAA (DE) 2008-11-20 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-20170022151-A1 PROCESS FOR PREPARING 1,1-DISUBSTITUTED ETHYLENE MONOMERS ESD, AP1M1, SULT1A1 TSHR 4823/4885ALDH1A1 62/4885TP53 4706/4885

“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.