SCHEMBL11910885

SCHEMBL11910885

CNC1CCC(OC2CC(O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(CO)cccc2C4=O)C(C)C1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 11/20 0.54
▸ KMT2A Q03164 11/20 0.54
▸ THRB P10828 10/20 0.54
▸ BLM P54132 9/20 0.54
▸ RECQL P46063 7/20 0.54
▸ TDP1 Q9NUW8 6/20 0.54
▸ HTT P42858 6/20 0.54
▸ TOP2A P11388 5/20 0.54
▸ HIF1A Q16665 5/20 0.54
▸ SMN1; SMN2 Q16637 5/20 0.54
▸ MAPT P10636 5/20 0.54
▸ BRCA1 P38398 5/20 0.54
▸ MAPK1 P28482 4/20 0.54
▸ PTGS1 P23219 3/20 0.54
▸ CHRM1 P11229 3/20 0.54
▸ TBXA2R P21731 3/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ ABCB1 P08183 3/20 0.54
▸ FYN P06241 2/20 0.54

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
SCHEMBL11911991 0.91 MEN1 (0.65) MEN1KMT2ATHRBBLMRECQL
SCHEMBL11910883 0.90 MEN1 (0.60) MEN1KMT2ATHRBBLMRECQL
SCHEMBL16901676 0.85 CHN2 (0.56) MEN1KMT2ATHRBBLMRECQL
SCHEMBL12690574 0.84 MEN1 (0.69) MEN1KMT2ATHRBBLMRECQL
SCHEMBL12014011 0.84 MEN1 (0.69) MEN1KMT2ATHRBBLMRECQL
SCHEMBL11911990 0.81 MEN1 (0.73) MEN1KMT2ATHRBBLMRECQL
SCHEMBL18069513 0.81 MEN1 (0.64) MEN1KMT2ATHRBBLMRECQL
SCHEMBL16901674 0.81 MEN1 (0.64) MEN1KMT2ATHRBBLMRECQL
SCHEMBL12855252 0.79 MEN1 (0.62) MEN1KMT2ATHRBBLMRECQL
SCHEMBL10079610 0.79 MEN1 (0.59) 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-8846602-B2 Process for producing an injectable medicament preparation KTB TUMORFORSCHUNGS GMBH (DE) 2014-09-30 — — US disclosed
US-20120195832-A1 PROCESS FOR PRODUCING AN INJECTABLE MEDICAMENT PREPARATION KTB TUMORFORSCHUNGS GMBH (DE) 2012-08-02 — — 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-20120195832-A1 PROCESS FOR PRODUCING AN INJECTABLE MEDICAMENT PREPARATION MMP1, MMP2, DNPEP MEN1 1234/4885KMT2A 4845/4885THRB 3223/4885

“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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