SCHEMBL25934997

SCHEMBL25934997

C=CCC(N)CC(=O)C=C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.39
GRIK2 Q13002 2/20 0.39
TSHR P16473 3/20 0.37
ALDH1A1 P00352 2/20 0.37
FGFR4 P22455 1/20 0.32
CYP2C19 P33261 2/20 0.31
CPA1 P15085 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
BLM P54132 1/20 0.30
SLC6A3 Q01959 1/20 0.30
MEN1 O00255 1/20 0.30
CYP2D6 P10635 1/20 0.30
NFKB1 P19838 1/20 0.30
KMT2A Q03164 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
SCHEMBL88551 0.79
SCHEMBL264240 0.79
SCHEMBL2033611 0.79
Acetic Acid SCHEMBL31288570 0.76 GRIK1 (0.47) GRIK1GRIK2TSHRALDH1A1CYP2C19
Acrylamide SCHEMBL28945550 0.74 TSHR (0.52) GRIK1GRIK2TSHRALDH1A1FGFR4
SCHEMBL588666 0.73
SCHEMBL7275993 0.72 ALDH1A1 (0.44) GRIK1GRIK2TSHRALDH1A1
Acetic Acid SCHEMBL2164879 0.71 GRIK1 (0.42) GRIK1GRIK2TSHRALDH1A1CYP2C19
Hydrochloric Acid SCHEMBL6972258 0.71 LMNA (0.43) GRIK1GRIK2TSHRALDH1A1MEN1
SCHEMBL174163 0.71

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-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-08-03 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 (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-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS GRIK1 3342/4885GRIK2 3497/4885TSHR 4752/4885

“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.