SCHEMBL23178982

SCHEMBL23178982

CC(C)(C)C(=O)/C=C/CCN

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.31
GABRR2 P28476 2/20 0.31
BLM P54132 2/20 0.31
TSHR P16473 2/20 0.31
GABRR3 A8MPY1 1/20 0.31
LMNA P02545 1/20 0.31
APEX1 P27695 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPC1 O15118 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 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
SCHEMBL17030880 0.81 GABRR1 (0.50) GABRR1GABRR2BLMTSHRGABRR3
SCHEMBL21123003 0.81 KMT2A (0.30)
SCHEMBL16117665 0.79 TAS1R3 (0.42) BLMAPEX1NPC1ALDH1A1MAPT
SCHEMBL16117663 0.79 CA1 (0.48) LMNANPSR1TDP1NPC1KDM4E
SCHEMBL10768168 0.77 CNR2 (0.39) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL10768166 0.77 CNR2 (0.39) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL9093494 0.74 PPARG (0.49) BLMLMNAAPEX1NPSR1TDP1
SCHEMBL9093490 0.74 PPARG (0.49) BLMLMNAAPEX1NPSR1TDP1
SCHEMBL24419733 0.74 KDM4E (0.34) NPSR1TDP1KDM4EALDH1A1MAPT
SCHEMBL24481141 0.73

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 GABRR1 3841/4885GABRR2 3996/4885BLM 1873/4885

“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.