SCHEMBL20152436

SCHEMBL20152436

CC[n+]1ccc(C(=O)OC(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 2/20 0.39
RCE1 Q9Y256 1/20 0.39
SLC7A5 Q01650 1/20 0.38
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 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
SCHEMBL20160746 0.79 CA12 (0.47) CA12CA1CA2CA9CA14
SCHEMBL5681926 0.79 ALDH1A1 (0.58) CA12CA1CA2CA9CA14
SCHEMBL7588248 0.79 ALDH1A1 (0.55) CA12CA1CA2CA9CA14
SCHEMBL12039249 0.79 CA12 (0.42) CA12CA1CA2CA9CA14
SCHEMBL109451 0.78 CA1 (0.61) CA12CA1CA2CA9CA14
SCHEMBL14081938 0.78 CA12 (0.50) CA12CA1CA2CA9CA14
SCHEMBL18312424 0.78 ALDH1A1 (0.59) CA12CA1CA2CA9CA14
Iodide SCHEMBL4873050 0.78 ALDH1A1 (0.57) CA12CA1CA2CA9CA14
Ethylbenzene SCHEMBL16673245 0.75 SLC7A5 (0.55) CA12CA1CA2CA9CA14
SCHEMBL20152437 0.75 CA12 (0.55) CA12CA1CA2CA9CA14

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-11056705-B2 Organic anolyte materials for flow batteries THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-07-06 US disclosed
US-20180138539-A1 ORGANIC ANOLYTE MATERIALS FOR FLOW BATTERIES THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2018-05-17 US disclosed
US-20180138539-A1 ORGANIC ANOLYTE MATERIALS FOR FLOW BATTERIES THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2018-05-17 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-20180138539-A1 ORGANIC ANOLYTE MATERIALS FOR FLOW BATTERIES NOX4, NDUFS4, CYBB CA12 622/4885CA1 294/4885CA2 648/4885
US-11056705-B2 Organic anolyte materials for flow batteries NOX4, NDUFS4, CYBB CA12 622/4885CA1 294/4885CA2 648/4885

“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.