SCHEMBL19196346

SCHEMBL19196346

CC(=O)OCOC(=O)c1ccc(C(=O)/C=C/c2cc3ccc(C)cc3oc2=O)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 8/20 0.41
▸ MAOA P21397 5/20 0.41
▸ MIF P14174 4/20 0.39
▸ PFKFB3 Q16875 1/20 0.39
▸ HSD11B1 P28845 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ GLA P06280 3/20 0.36
▸ GAA P10253 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA3 P07451 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA6 P23280 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 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
SCHEMBL17525296 0.88 MAOB (0.50) MAOBMAOAMIFPFKFB3KDM4E
SCHEMBL19196315 0.87 MAOB (0.45) MAOBMAOAMIFPFKFB3KDM4E
SCHEMBL19196314 0.84 MAOB (0.42) MAOBMAOAMIFHSD11B1ALDH1A1
SCHEMBL19203422 0.75 MEN1 (0.51) MAOBMAOAKDM4EALDH1A1GLA
SCHEMBL19196064 0.72 MIF (0.45) MAOBMAOAMIFALDH1A1GAA
SCHEMBL17525313 0.72 ALDH1A1 (0.55) MAOBKDM4EALDH1A1GLAGAA
SCHEMBL17037974 0.72 HSD11B1 (0.47) MAOBMAOAMIFPFKFB3HSD11B1
SCHEMBL19196312 0.71 MAPT (0.49) MAOBMAOAMIFKDM4EALDH1A1
SCHEMBL19196313 0.71 MAPT (0.58) MAOBMAOAKDM4EALDH1A1MEN1
SCHEMBL12611191 0.65 MIF (0.78) MAOBMAOAMIFPFKFB3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170219599-A1 PROBES FOR QUANTITATIVE IMAGING OF THIOLS IN VARIOUS ENVIRONMENTS BAYLOR COLLEGE OF MEDICINE (US) 2017-08-03 — — 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-20170219599-A1 PROBES FOR QUANTITATIVE IMAGING OF THIOLS IN VARIOUS ENVIRONMENTS SQOR, TXN2, TXNRD1 MAOB 1766/4885MAOA 1957/4885MIF 598/4885

“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.

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