SCHEMBL9980822

SCHEMBL9980822

CCCCOS(=O)(=O)OC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 12/20 0.50
CA2 P00918 12/20 0.50
CA9 Q16790 8/20 0.43
CA12 O43570 4/20 0.42
CA7 P43166 4/20 0.42
CA14 Q9ULX7 4/20 0.42
CA3 P07451 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA5A P35218 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
RECQL P46063 2/20 0.41
TSHR P16473 2/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
EPHX2 P34913 1/20 0.41
BLM P54132 1/20 0.41
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL28421490 0.92 CA1 (0.53) CA1CA2CA9CA12CA7
SCHEMBL9403962 0.92 CA1 (0.53) CA1CA2CA9CA12CA7
SCHEMBL28421390 0.92 CA1 (0.53) CA1CA2CA9CA12CA7
SCHEMBL11049951 0.90 CA1 (0.52) CA1CA2CA9CA12CA7
SCHEMBL9980923 0.86 CA1 (0.46) CA1CA2CA9CA12CA7
Ether SCHEMBL22975446 0.84 CA1 (0.46) CA1CA2CA9CA12CA7
SCHEMBL9980748 0.83 CA1 (0.47) CA1CA2CA9CA12CA7
SCHEMBL16108599 0.81 CA1 (0.64) CA1CA2CA9CA12CA7
SCHEMBL19733 0.81 CA1 (0.64) CA1CA2CA9CA12CA7
SCHEMBL28123592 0.81 CA1 (0.64) CA1CA2CA9CA12CA7

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-20230371517-A1 COMBINATIONS TREATMENTS AEQUOR, INC. (US) 2023-11-23 US disclosed
US-20230371517-A1 COMBINATIONS TREATMENTS AEQUOR, INC. (US) 2023-11-23 US disclosed
WO-2022081594-A1 ANTIMICROBIAL COMBINATION THERAPEUTICS AEQUOR, INC. (US) 2022-04-21 WO disclosed
EP-3984540-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE Aequor, Inc. (US) 2022-04-20 EP disclosed
US-20200060280-A1 Antimicrobial Compounds and Methods of Use AEQUOR, INC. 2020-02-27 US disclosed
US-8460821-B2 Non-aqueous electrolyte secondary battery, non-aqueous electrolyte, and method for fabricating non-aqueous electrolyte secondary battery GS YUASA INTERNATIONAL LTD. (JP) 2013-06-11 US disclosed
US-20110318655-A1 NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY, NON-AQUEOUS ELECTROLYTE, AND METHOD FOR FABRICATNG NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY GS YUASA INTERNATIONAL LTD. (JP) 2011-12-29 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 (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-20200060280-A1 Antimicrobial Compounds and Methods of Use DDT, PFAS, DSTN CA1 3715/4885CA2 2294/4885CA9 2546/4885
US-20230371517-A1 COMBINATIONS TREATMENTS DDT, AS3MT, GPX4 CA1 2715/4885CA2 738/4885CA9 1139/4885

“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.