SCHEMBL17084702

SCHEMBL17084702

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)OCC2[C@H]3CCC#CCC[C@@H]23)[C@H](O)[C@H](C)O1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 0.68
▸ KMT2A Q03164 9/20 0.68
▸ THRB P10828 8/20 0.68
▸ BLM P54132 7/20 0.68
▸ RECQL P46063 6/20 0.68
▸ TOP2A P11388 5/20 0.68
▸ TDP1 Q9NUW8 5/20 0.68
▸ HIF1A Q16665 5/20 0.68
▸ SMN1; SMN2 Q16637 5/20 0.68
▸ BRCA1 P38398 5/20 0.68
▸ MAPT P10636 4/20 0.68
▸ MAPK1 P28482 4/20 0.68
▸ HTT P42858 4/20 0.68
▸ PTGS1 P23219 3/20 0.68
▸ CHRM1 P11229 3/20 0.68
▸ TBXA2R P21731 3/20 0.68
▸ KDM4E B2RXH2 3/20 0.68
▸ ALDH1A1 P00352 3/20 0.68
▸ ABCB1 P08183 3/20 0.68
▸ FYN P06241 2/20 0.68

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
SCHEMBL19245938 1.00 MEN1 (0.68) MEN1KMT2ATHRBBLMRECQL
SCHEMBL17087546 1.00 MEN1 (0.68) MEN1KMT2ATHRBBLMRECQL
SCHEMBL22108017 1.00 MEN1 (0.68) MEN1KMT2ATHRBBLMRECQL
SCHEMBL20010009 0.94 MEN1 (0.69) MEN1KMT2ATHRBBLMRECQL
SCHEMBL20634904 0.94 MEN1 (0.69) MEN1KMT2ATHRBBLMRECQL
SCHEMBL17706678 0.89 MEN1 (0.77) MEN1KMT2ATHRBBLMRECQL
SCHEMBL10014019 0.89 MEN1 (0.80) MEN1KMT2ATHRBBLMRECQL
SCHEMBL30465123 0.89 MEN1 (0.80) MEN1KMT2ATHRBBLMRECQL
SCHEMBL17404468 0.89 MEN1 (0.71) MEN1KMT2ATHRBBLMRECQL
SCHEMBL9607882 0.89 MEN1 (0.71) MEN1KMT2ATHRBBLMRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10253345-B2 Cell lines MEDIMMUNE LIMITED (GB) 2019-04-09 — — US disclosed
US-20170306381-A1 CELL LINES ALLOZYNE, INC. 2017-10-26 — — US disclosed
US-20170306381-A1 CELL LINES ALLOZYNE, INC. 2017-10-26 — — US disclosed
US-9732367-B2 Cell lines MEDIMMUNE LIMITED (GB) 2017-08-15 — — US disclosed
US-9732367-B2 Cell lines MEDIMMUNE LIMITED (GB) 2017-08-15 — — US disclosed
US-20150259721-A1 CELL LINES ALLOZYNE, INC. 2015-09-17 — — 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 (3 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-20150259721-A1 CELL LINES AARS1, LARS1, IARS1 MEN1 2150/4885KMT2A 1119/4885THRB 674/4885
US-10253345-B2 Cell lines AARS1, LARS1, IARS1 MEN1 2150/4885KMT2A 1119/4885THRB 674/4885
US-20170306381-A1 CELL LINES AARS1, LARS1, IARS1 MEN1 2150/4885KMT2A 1119/4885THRB 674/4885

“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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