SCHEMBL22097577

SCHEMBL22097577

O=C(O)c1c(Br)ccc(Br)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.44
DPP4 P27487 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
AKR1C3 P42330 4/20 0.40
AKR1C2 P52895 4/20 0.40
AKR1C1 Q04828 3/20 0.40
AKR1C4 P17516 2/20 0.40
PTPN1 P18031 3/20 0.37
PTPN2 P17706 1/20 0.37
PTPN6 P29350 1/20 0.37
GLRA3 O75311 1/20 0.35
GLRB P48167 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL6494516 0.86 CA12 (0.50) TTRDPP4CA12CA1CA2
SCHEMBL31006010 0.86 CA12 (0.50) TTRDPP4CA12CA1CA2
SCHEMBL10415958 0.84 CA12 (0.43) TTRDPP4CA12CA1CA2
SCHEMBL30474626 0.84 CA12 (0.43) TTRDPP4CA12CA1CA2
SCHEMBL31652996 0.82 DPP4 (0.69) TTRDPP4CA12CA1CA2
SCHEMBL18089697 0.82 ALDH1A1 (0.44) TTRDPP4CA12CA1CA2
SCHEMBL433284 0.82 KDM4E (0.42) TTRDPP4CA12CA1CA2
SCHEMBL6844880 0.82 CYP3A4 (0.42) TTRDPP4CA12CA1CA2
SCHEMBL6844859 0.79 DUSP3 (0.39) TTRDPP4CA12CA1CA2
SCHEMBL2171213 0.78 ERN1 (0.54) CA12CA1CA2CA7CA9

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-20250214921-A1 METHOD FOR PRODUCING CYCLIC DIKETONE COMPOUND KAO CORPORATION (JP) 2025-07-03 US disclosed
US-11774853-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-10-03 US disclosed
US-20200192222-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-06-18 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 (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-20250214921-A1 METHOD FOR PRODUCING CYCLIC DIKETONE COMPOUND HSD17B7, HSD17B12, BCKDK TTR 4769/4885DPP4 2461/4885CA12 2616/4885

“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.