SCHEMBL7783980

SCHEMBL7783980

COC(CC(=O)O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGD P52209 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
ADRA1A P35348 2/20 0.33
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ALOX15 P16050 1/20 0.32
MAPT P10636 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
MMP12 P39900 1/20 0.32
GABRR1 P24046 2/20 0.31
LMNA P02545 2/20 0.31
CACNA2D1 P54289 2/20 0.30
CACNB3 P54284 1/20 0.30
CACNA1C Q13936 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
SCHEMBL14267356 0.81 ALDH1A1 (0.40) TDP1
SCHEMBL15871302 0.79
SCHEMBL3634961 0.79 SLC22A6 (0.35) PGDSLC22A6TDP1SMN1; SMN2ALOX15
SCHEMBL14467391 0.77
SCHEMBL7629110 0.77 PGD (0.39) PGDSLC22A6TDP1
SCHEMBL11582020 0.76 MMP12 (0.33) PGDSLC22A6TDP1SMN1; SMN2MMP12
SCHEMBL25946702 0.74 MMP1 (0.33) PGDSLC22A6TDP1SMN1; SMN2ALOX15
SCHEMBL7781785 0.74 ALDH1A1 (0.44) TDP1CHRM1ALOX15CYP2D6TSHR
SCHEMBL2181570 0.73 PGD (0.33) PGDSLC22A6
SCHEMBL25527449 0.73 TSHR (0.37) PGDSLC22A6SMN1; SMN2ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051326-A1 Antiinfective Lipopeptides CUBIST PHARMACEUTICALS, INC. 2008-02-28 US disclosed
EP-1141044-A1 SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION, CATALYST FOR OLEFIN POLYMERIZATION AND PROCESS FOR PRODUCING OLEFIN POLYMER Basell Technology Company B.V. (NL) 2001-10-10 EP disclosed
WO-2001036496-A1 SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION, CATALYST FOR OLEFIN POLYMERIZATION AND PROCESS FOR PRODUCING OLEFIN POLYMER BASELL TECHNOLOGY COMPANY B.V. (NL) 2001-05-25 WO 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-20080051326-A1 Antiinfective Lipopeptides VIP, NGLY1, PREP PGD 2705/4885SLC22A6 3518/4885TDP1 3780/4885

“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.