SCHEMBL3466071

SCHEMBL3466071

O=C([O-])C1CC2CCC1CC2.O=C([O-])C1CC2CCC1CC2.[Mg+2]

nearest known ligand 0.45

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
HPGD P15428 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
HSD11B1 P28845 1/20 0.33
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32
KCNQ4 P56696 1/20 0.32
KCNQ5 Q9NR82 1/20 0.32
MEN1 O00255 2/20 0.31
HTT P42858 2/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
HSD17B10 Q99714 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL3466116 1.00 POLB (0.45) POLBHPGDL3MBTL1HSD11B1KCNQ3
SCHEMBL3466270 1.00 POLB (0.45) POLBHPGDL3MBTL1HSD11B1KCNQ3
Potassium Ion SCHEMBL3467421 0.95 POLB (0.45) POLBHPGDL3MBTL1HSD11B1KCNQ3
Zinc Ion SCHEMBL3466723 0.95 POLB (0.45) POLBHPGDL3MBTL1HSD11B1KCNQ3
SCHEMBL3466753 0.95 POLB (0.45) POLBHPGDL3MBTL1HSD11B1KCNQ3
Lithium Ion SCHEMBL3466824 0.95 POLB (0.45) POLBHPGDL3MBTL1HSD11B1KCNQ3
SCHEMBL3466662 0.95 POLB (0.45) POLBHPGDL3MBTL1HSD11B1KCNQ3
SCHEMBL3466066 0.95 POLB (0.45) POLBHPGDL3MBTL1HSD11B1KCNQ3
SCHEMBL3467701 0.95 POLB (0.45) POLBHPGDL3MBTL1HSD11B1KCNQ3
Zinc Ion SCHEMBL3466748 0.95 POLB (0.45) POLBHPGDL3MBTL1HSD11B1KCNQ3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10966944-B2 [2.2.2] bicyclic derivatives and methods of use ASE PHARMACEUTICALS LLC (US) 2021-04-06 US disclosed
US-10751307-B2 [2.2.2] bicyclic derivatives and methods of use ASE PHARMACEUTICALS LLC (US) 2020-08-25 US disclosed
EP-2396002-B1 (2.2.2) BICYCLIC DERIVATIVES AND METHODS OF USE ASE PHARMACEUTICALS LLC (US) 2020-07-29 EP disclosed
US-20200215008-A1 [2.2.2] BICYCLIC DERIVATIVES AND METHODS OF USE ASE PHARMACEUTICALS LLC (US) 2020-07-09 US disclosed
US-20180200211-A1 [2.2.2] BICYCLIC DERIVATIVES AND METHODS OF USE ASE PHARMACEUTICALS LLC (US) 2018-07-19 US disclosed
US-9943493-B2 [2.2.2] bicyclic derivatives and methods of use ASE PHARMACEUTICALS, LLC (US) 2018-04-17 US disclosed
US-20170000750-A1 [2.2.2] BICYCLIC DERIVATIVES AND METHODS OF USE ASE PHARMACEUTICALS, LLC 2017-01-05 US disclosed
WO-2010071872-A2 [2.2.2] BICYCLIC DERIVATIVES AND METHODS OF USE ASE PHARMACEUTICALS, LLC (US) 2010-06-24 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 (5 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-20200215008-A1 [2.2.2] BICYCLIC DERIVATIVES AND METHODS OF USE OAT, GOT2, FABP1 POLB 2472/4885HPGD 1992/4885L3MBTL1 3828/4885
US-10751307-B2 [2.2.2] bicyclic derivatives and methods of use OAT, GABRA2, GOT2 POLB 1987/4885HPGD 2166/4885L3MBTL1 3810/4885
US-10966944-B2 [2.2.2] bicyclic derivatives and methods of use OAT, GOT2, FABP1 POLB 2472/4885HPGD 1992/4885L3MBTL1 3828/4885
US-20170000750-A1 [2.2.2] BICYCLIC DERIVATIVES AND METHODS OF USE OAT, GABRA2, GOT2 POLB 1987/4885HPGD 2166/4885L3MBTL1 3810/4885
US-20180200211-A1 [2.2.2] BICYCLIC DERIVATIVES AND METHODS OF USE OAT, GABRA2, GOT2 POLB 1987/4885HPGD 2166/4885L3MBTL1 3810/4885

“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.