SCHEMBL29300008

SCHEMBL29300008

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.42
GABRD O14764 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRB1 P18505 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRB2 P47870 2/20 0.42
GABRA4 P48169 2/20 0.42
GABRE P78334 2/20 0.42
GABRA6 Q16445 2/20 0.42
GABRG1 Q8N1C3 2/20 0.42
GABRG3 Q99928 2/20 0.42
GABRQ Q9UN88 2/20 0.42
SLC7A5 Q01650 1/20 0.31
TP53 P04637 1/20 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
SCHEMBL20326334 0.84 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2611674 0.78 GABRP (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28896411 0.78 GABRP (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL24338157 0.77 GABRP (0.31) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10308366 0.76 GABRP (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10308367 0.76 GABRP (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4064452 0.75 GAPDH (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20314939 0.74 GABRP (0.32) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20327164 0.74 GABRP (0.32) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15118601 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 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 (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-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, HRAS, KRAS GABRP 3031/4885GABRD 2360/4885GABRA1 3009/4885

“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.