SCHEMBL23178917

SCHEMBL23178917

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 4/20 0.50
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
GAA P10253 4/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
THRB P10828 1/20 0.41
LMNA P02545 3/20 0.39
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.33
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31

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
SCHEMBL14930918 0.74
SCHEMBL14707348 0.73 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTSMN1; SMN2HPGD
SCHEMBL8464142 0.73 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTSMN1; SMN2HPGD
SCHEMBL8464139 0.73 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTSMN1; SMN2HPGD
SCHEMBL4856814 0.73 KDM4E (0.44) ALDH1A1KDM4ELMNAMAPK1MTNR1A
SCHEMBL1956799 0.73 KDM4E (0.44) ALDH1A1KDM4ELMNAMAPK1MTNR1A
SCHEMBL4856818 0.73 KDM4E (0.44) ALDH1A1KDM4ELMNAMAPK1MTNR1A
SCHEMBL1871042 0.72
SCHEMBL1274398 0.72
SCHEMBL18956906 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-20210094919-A1 KRAS MUTANT PROTEIN INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. 2021-04-01 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-20210094919-A1 KRAS MUTANT PROTEIN INHIBITORS KRAS, NRAS, APC ALDH1A1 4345/4885KDM4E 3508/4885MAPT 2051/4885

“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.