SCHEMBL20624820

SCHEMBL20624820

N#C/C=C/CC=CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
GABRR1 P24046 2/20 0.42
GABRR2 P28476 2/20 0.42
BLM P54132 2/20 0.42
GABRR3 A8MPY1 1/20 0.42
LMNA P02545 1/20 0.42
APEX1 P27695 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.36
PPARA Q07869 1/20 0.34
HCAR2 Q8TDS4 4/20 0.32
ALDH1A1 P00352 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
SCHEMBL1809605 0.79 TSHR (0.61) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL7853631 0.79 TSHR (0.37) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL8799194 0.76
SCHEMBL17912275 0.76 TSHR (0.47) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL996827 0.76
SCHEMBL10423 0.76
Ammonia Solution, Strong SCHEMBL38659341 0.76 TSHR (0.58) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL3065183 0.76 TSHR (0.58) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL3065185 0.76 TSHR (0.58) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL4969564 0.74 MEN1 (0.43) TSHRGABRR1GABRR2BLMGABRR3

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-10676426-B2 Acrylonitrile derivatives from epoxide and carbon monoxide reagents NOVOMER, INC. (US) 2020-06-09 US disclosed
US-20190002400-A1 Acrylonitrile Derivatives from Epoxide and Carbon Monoxide Reagents NOVOMER, INC. (US) 2019-01-03 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-10676426-B2 Acrylonitrile derivatives from epoxide and carbon monoxide reagents POR, AGL, ALK TSHR 4838/4885GABRR1 3472/4885GABRR2 3569/4885
US-20190002400-A1 Acrylonitrile Derivatives from Epoxide and Carbon Monoxide Reagents POR, AGL, ALK TSHR 4838/4885GABRR1 3472/4885GABRR2 3569/4885

“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.