SCHEMBL7207332

SCHEMBL7207332

CCC(C)(C)C(C(=O)OC)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.37
ZDHHC7 Q9NXF8 1/20 0.35
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
MMP8 P22894 1/20 0.32
PKM P14618 1/20 0.32
CA14 Q9ULX7 3/20 0.32
TSHR P16473 3/20 0.31
ALDH1A1 P00352 2/20 0.31
CA12 O43570 2/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL7212483 0.89 CA1 (0.38) CA1CA2SMN1; SMN2ZDHHC7MGAM
SCHEMBL20711108 0.82 CA1 (0.44) CA1CA2SMN1; SMN2ZDHHC7MGAM
SCHEMBL2151395 0.81 CA1 (0.42) CA1CA2SMN1; SMN2ZDHHC7MGAM
SCHEMBL7213719 0.81 ALDH1A1 (0.42) MGAMGAASIMGAM2MMP8
SCHEMBL27300790 0.79 CA1 (0.41) CA1CA2SMN1; SMN2ZDHHC7MGAM
SCHEMBL2151944 0.78 CA1 (0.39) CA1CA2SMN1; SMN2ZDHHC7MGAM
SCHEMBL23460703 0.77 CA1 (0.39) CA1CA2SMN1; SMN2ZDHHC7MGAM
SCHEMBL28292466 0.77 CA1 (0.44) CA1CA2SMN1; SMN2ZDHHC7MGAM
SCHEMBL23460704 0.77 CA1 (0.39) CA1CA2SMN1; SMN2ZDHHC7MGAM
Hydrochloric Acid SCHEMBL30373839 0.76 CA1 (0.38) CA1CA2SMN1; SMN2ZDHHC7MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10040806-B2 Microbiocidally active benzoxaboroles SYNGENTA PARTICIPATIONS AG (CH) 2018-08-07 US disclosed
US-9974800-B2 Therapy for inhibition of single-stranded RNA virus replication REDHILL BIOPHARMA LTD. (IL) 2018-05-22 US disclosed
US-9844540-B2 Combination therapies for treating cancer REDHILL BIOPHARMA LTD. (IL) 2017-12-19 US disclosed
US-20170095460-A1 COMBINATION THERAPIES FOR TREATING CANCER REDHILL BIOPHARMA LTD. (IL) 2017-04-06 US disclosed
US-6613934-B1 Enzymatic partial hydrolysis of a diester of malonic acid DEGUSSA AG (DE) 2003-09-02 US disclosed
EP-0812819-B1 Enantiomer-enriched tertiary hydrocarbonrest-substituted malonic acid ester and the preparation DEGUSSA (DE) 2001-11-28 EP disclosed
EP-0812819-A2 Enantiomer-enriched tertiary hydrocarbonrest-substituted malonic acid ester and the preparation HÜLS AKTIENGESELLSCHAFT (DE) 1997-12-17 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 (2 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-20170095460-A1 COMBINATION THERAPIES FOR TREATING CANCER KRAS, ACE, TPMT CA1 1821/4885CA2 758/4885SMN1; SMN2 3293/4885
US-10040806-B2 Microbiocidally active benzoxaboroles MPO, BROX, MANBA CA1 3955/4885CA2 2692/4885SMN1; SMN2 3612/4885

“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.