SCHEMBL18179736

SCHEMBL18179736

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.38
USP2 O75604 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 3/20 0.35
POLB P06746 3/20 0.35
MEN1 O00255 2/20 0.35
ATM Q13315 1/20 0.35
PLEC Q15149 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
DNASE1L3 Q13609 1/20 0.33
PRMT1 Q99873 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
ALB P02768 1/20 0.33

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
SCHEMBL18179739 0.93 USP2 (0.46) ESR1USP2L3MBTL1CA12CA1
SCHEMBL18179734 0.92 USP2 (0.38) ESR1USP2L3MBTL1KMT2APOLB
SCHEMBL18179748 0.85 USP2 (0.47) ESR1USP2L3MBTL1KMT2APOLB
SCHEMBL15145568 0.84 ESR1 (0.36) ESR1USP2L3MBTL1KMT2APOLB
SCHEMBL18179738 0.83 USP2 (0.48) ESR1USP2L3MBTL1KMT2APOLB
SCHEMBL15143728 0.83 ESR1 (0.39) ESR1USP2L3MBTL1KMT2APOLB
SCHEMBL15143802 0.82 P2RY6 (0.35) ESR1USP2L3MBTL1KMT2APOLB
SCHEMBL18179732 0.77 USP2 (0.56) ESR1USP2L3MBTL1KMT2APOLB
SCHEMBL18179747 0.76 USP2 (0.54) ESR1USP2L3MBTL1KMT2APOLB
SCHEMBL15143730 0.75 USP2 (0.42) ESR1USP2L3MBTL1KMT2APOLB

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 ESR1 3340/4885USP2 1219/4885L3MBTL1 2301/4885

“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.