SCHEMBL12014011

SCHEMBL12014011

CNC1CC(O[C@H]2CC(O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(CO)cccc2C4=O)OC(C)C1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 11/20 0.69
▸ KMT2A Q03164 11/20 0.69
▸ THRB P10828 10/20 0.69
▸ BLM P54132 10/20 0.69
▸ RECQL P46063 8/20 0.69
▸ TOP2A P11388 6/20 0.69
▸ TDP1 Q9NUW8 6/20 0.69
▸ HIF1A Q16665 6/20 0.69
▸ SMN1; SMN2 Q16637 6/20 0.69
▸ MAPT P10636 6/20 0.69
▸ BRCA1 P38398 6/20 0.69
▸ MAPK1 P28482 6/20 0.69
▸ HTT P42858 6/20 0.69
▸ CHRM1 P11229 4/20 0.69
▸ KDM4E B2RXH2 4/20 0.69
▸ ALDH1A1 P00352 4/20 0.69
▸ PTGS1 P23219 3/20 0.69
▸ TBXA2R P21731 3/20 0.69
▸ ABCB1 P08183 3/20 0.69
▸ STAT6 P42226 3/20 0.69

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
SCHEMBL12690574 1.00 MEN1 (0.69) MEN1KMT2ATHRBBLMRECQL
SCHEMBL13351681 0.94 EBP (0.70) MEN1KMT2ATHRBBLMRECQL
SCHEMBL13154315 0.92 MEN1 (0.82) MEN1KMT2ATHRBBLMRECQL
SCHEMBL22970097 0.92 MEN1 (0.82) MEN1KMT2ATHRBBLMRECQL
SCHEMBL17705921 0.92 MEN1 (0.82) MEN1KMT2ATHRBBLMRECQL
SCHEMBL3839149 0.92 MEN1 (0.82) MEN1KMT2ATHRBBLMRECQL
SCHEMBL17899511 0.92 MEN1 (0.82) MEN1KMT2ATHRBBLMRECQL
SCHEMBL12022391 0.92 MEN1 (0.82) MEN1KMT2ATHRBBLMRECQL
SCHEMBL13181351 0.92 MEN1 (0.82) MEN1KMT2ATHRBBLMRECQL
SCHEMBL18816263 0.92 MEN1 (0.82) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252740-B2 Thermally-targeted delivery of medicaments including doxorubicin THE UNIVERSITY OF MISSISSIPPI MEDICAL CENTER (US) 2012-08-28 — — US disclosed
US-20100022466-A1 THERMALLY-TARGETED DELIVERY OF MEDICAMENTS INCLUDING DOXORUBICIN THE UNIVERSITY OF MISSISSIPPI MEDICAL CENTER 2010-01-28 — — 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-20100022466-A1 THERMALLY-TARGETED DELIVERY OF MEDICAMENTS INCLUDING DOXORUBICIN ENPEP, LNPEP, ERAP1 MEN1 2761/4885KMT2A 3472/4885THRB 2679/4885

“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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