SCHEMBL6381111

SCHEMBL6381111

CC(C)(C)OC(=O)[C@@H]1CCCN1C=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
CASP3 P42574 1/20 0.39
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
DAGLA Q9Y4D2 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
HPGD P15428 1/20 0.36
ROCK2 O75116 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.35
UCHL1 P09936 1/20 0.35
EPHX1 P07099 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9289509 1.00 HSD17B10 (0.43) HSD17B10CASP3CNR1CNR2DAGLA
SCHEMBL18626075 1.00 HSD17B10 (0.43) HSD17B10CASP3CNR1CNR2DAGLA
SCHEMBL6646539 0.95 HSD17B10 (0.39) HSD17B10CASP3CNR1CNR2DAGLA
SCHEMBL4560121 0.81 HSD17B10 (0.36) HSD17B10CASP3HRH3HPGDROCK2
SCHEMBL6377618 0.81 POLB (0.45) CNR1CNR2DAGLASMN1; SMN2
SCHEMBL555493 0.81 POLB (0.45) CNR1CNR2DAGLASMN1; SMN2
SCHEMBL14113486 0.81 POLB (0.45) CNR1CNR2DAGLASMN1; SMN2
SCHEMBL14938657 0.77 CASP3 (0.43) HSD17B10CASP3HRH3HPGDROCK2
SCHEMBL14366142 0.77 CNR1 (0.37) CNR1CNR2DAGLAMEN1KMT2A
SCHEMBL8490471 0.77 HSD17B10 (0.42) HSD17B10CASP3HRH3HPGDROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090047221-A1 COMPOUNDS AND COMPOSITIONS USEFUL IN THE TREATMENT OF NEOPLASIA NIPRI LIMITED (GB) 2009-02-19 US disclosed
US-20090047221-A1 COMPOUNDS AND COMPOSITIONS USEFUL IN THE TREATMENT OF NEOPLASIA NIPRI LIMITED (GB) 2009-02-19 US disclosed
EP-1086941-B1 PROCESS FOR PREPARING REDUCTANTS OF UNSATURATED ORGANIC COMPOUNDS BY THE USE OF TRICHLOROSILANE AND REDUCING AGENTS TOKUYAMA CORP (JP) 2005-08-17 EP disclosed
US-6420613-B1 CHEMICAL REDUCTION WITH TRICHLOROSILANE TOKUYAMA CORPORATION (JP) 2002-07-16 US disclosed
EP-1086941-A1 PROCESS FOR PREPARING REDUCTANTS OF UNSATURATED ORGANIC COMPOUNDS BY THE USE OF TRICHLOROSILANE AND REDUCING AGENTS TOKUYAMA CORPORATION (JP) 2001-03-28 EP 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-20090047221-A1 COMPOUNDS AND COMPOSITIONS USEFUL IN THE TREATMENT OF NEOPLASIA MKI67, TP53, CCNA1 HSD17B10 804/4885CASP3 316/4885CNR1 3119/4885

“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.