SCHEMBL23823901

SCHEMBL23823901

COC(=O)/C=C/C=C/c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
TYR P14679 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
HSD11B1 P28845 1/20 0.52
MAOB P27338 1/20 0.50
POLB P06746 1/20 0.50
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
PTPN1 P18031 1/20 0.47
TNFRSF1A P19438 1/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TTR P02766 1/20 0.46
APP P05067 1/20 0.46
P2RY12 Q9H244 1/20 0.46

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
SCHEMBL29980425 1.00 CA12 (0.54) CA12CA1CA2TYRCA7
SCHEMBL1972599 0.87 CA12 (0.70) CA12CA1CA2TYRCA7
SCHEMBL1564066 0.87 CA12 (0.70) CA12CA1CA2TYRCA7
SCHEMBL2473707 0.87 CA12 (0.70) CA12CA1CA2TYRCA7
SCHEMBL30157231 0.84 CA12 (0.77) CA12CA1CA2TYRCA7
SCHEMBL2651781 0.84 CA12 (0.56) CA12CA1CA2TYRCA7
SCHEMBL14878501 0.84 CA12 (0.77) CA12CA1CA2TYRCA7
SCHEMBL21428246 0.83 HDAC8 (0.68) CA12CA1CA2TYRCA7
SCHEMBL29980103 0.83 HDAC8 (0.68) CA12CA1CA2TYRCA7
SCHEMBL6661751 0.83 CA12 (0.54) CA12CA1CA2TYRCA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230139593-A1 TREATMENT OF DISORDERS ASSOCIATED WITH OXIDATIVE STRESS AND COMPOUNDS FOR SAME BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2023-05-04 US disclosed
US-20230139593-A1 TREATMENT OF DISORDERS ASSOCIATED WITH OXIDATIVE STRESS AND COMPOUNDS FOR SAME BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2023-05-04 US disclosed
US-20230139593-A1 TREATMENT OF DISORDERS ASSOCIATED WITH OXIDATIVE STRESS AND COMPOUNDS FOR SAME BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2023-05-04 US disclosed
WO-2021179049-A1 TREATMENT OF DISORDERS ASSOCIATED WITH OXIDATIVE STRESS AND COMPOUNDS FOR SAME THE UNIVERSITY OF ADELAIDE (AU) 2021-09-16 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-20230139593-A1 TREATMENT OF DISORDERS ASSOCIATED WITH OXIDATIVE STRESS AND COMPOUNDS FOR SAME GPX4, TXNRD2, TXN2 CA12 3466/4885CA1 3469/4885CA2 2679/4885

“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.