SCHEMBL18179739

SCHEMBL18179739

COC(=O)CCN(CCC(=O)OC)C(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(Oc4cc(C)c(O)c(C)c4)ccc23)c(C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ESR1 P03372 1/20 0.45
CA9 Q16790 7/20 0.41
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA12 O43570 4/20 0.41
SLC5A2 P31639 2/20 0.39
ALB P02768 1/20 0.39

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
SCHEMBL18179748 0.93 USP2 (0.47) USP2L3MBTL1ESR1CA9CA1
SCHEMBL18179736 0.93 ESR1 (0.38) USP2L3MBTL1ESR1CA9CA1
SCHEMBL18179732 0.86 USP2 (0.56) USP2L3MBTL1ESR1CA9CA1
SCHEMBL18179734 0.85 USP2 (0.38) USP2L3MBTL1ESR1CA9CA1
SCHEMBL18179747 0.80 USP2 (0.54) USP2L3MBTL1ESR1CA9CA1
SCHEMBL18179738 0.79 USP2 (0.48) USP2L3MBTL1ESR1CA9CA1
SCHEMBL15145568 0.77 ESR1 (0.36) USP2L3MBTL1ESR1CA9CA1
SCHEMBL15143728 0.76 ESR1 (0.39) USP2L3MBTL1ESR1CA9SLC5A2
SCHEMBL15143736 0.76 USP2 (0.51) USP2L3MBTL1ESR1CA9CA1
SCHEMBL15143802 0.75 P2RY6 (0.35) USP2L3MBTL1ESR1CA9CA12

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-20160312033-A1 DIARYLETHER-BASED FLUOROGENIC PROBES FOR DETECTION OF HYPOCHLOROUS ACID OR HYDROXYL RADICAL VERSITECH LIMITED (HK) 2016-10-27 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-20160312033-A1 DIARYLETHER-BASED FLUOROGENIC PROBES FOR DETECTION OF HYPOCHLOROUS ACID OR HYDROXYL RADICAL HAGH, HADH, FECH USP2 1219/4885L3MBTL1 2301/4885ESR1 3340/4885

“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.