SCHEMBL16901676

SCHEMBL16901676

CNC1CC(OC2CC(O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(CO)cccc2C4=O)CC(C)C1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHN2 P52757 1/20 0.56
▸ PRKCD Q05655 1/20 0.56
▸ MEN1 O00255 11/20 0.56
▸ KMT2A Q03164 11/20 0.56
▸ THRB P10828 10/20 0.56
▸ BLM P54132 10/20 0.56
▸ RECQL P46063 8/20 0.56
▸ TOP2A P11388 6/20 0.56
▸ TDP1 Q9NUW8 6/20 0.56
▸ SMN1; SMN2 Q16637 6/20 0.56
▸ MAPT P10636 6/20 0.56
▸ HTT P42858 6/20 0.56
▸ HIF1A Q16665 5/20 0.56
▸ BRCA1 P38398 5/20 0.56
▸ MAPK1 P28482 5/20 0.56
▸ CHRM1 P11229 4/20 0.56
▸ KDM4E B2RXH2 4/20 0.56
▸ ALDH1A1 P00352 4/20 0.56
▸ PTGS1 P23219 3/20 0.56
▸ TBXA2R P21731 3/20 0.56

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
SCHEMBL1103790 0.91 MEN1 (0.67) CHN2PRKCDMEN1KMT2ATHRB
SCHEMBL18069513 0.90 MEN1 (0.64) CHN2PRKCDMEN1KMT2ATHRB
SCHEMBL16901674 0.90 MEN1 (0.64) CHN2PRKCDMEN1KMT2ATHRB
SCHEMBL12690574 0.87 MEN1 (0.69) MEN1KMT2ATHRBBLMRECQL
SCHEMBL12014011 0.87 MEN1 (0.69) MEN1KMT2ATHRBBLMRECQL
SCHEMBL11910885 0.85 MEN1 (0.54) CHN2PRKCDMEN1KMT2ATHRB
SCHEMBL10025859 0.84 MEN1 (0.65) CHN2PRKCDMEN1KMT2ATHRB
SCHEMBL14706187 0.84 MEN1 (0.73) CHN2PRKCDMEN1KMT2ATHRB
SCHEMBL18751205 0.84 MEN1 (0.73) CHN2PRKCDMEN1KMT2ATHRB
SCHEMBL14703485 0.84 MEN1 (0.73) CHN2PRKCDMEN1KMT2ATHRB

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-20150196573-A1 PROCESS FOR PRODUCING AN INJECTABLE MEDICAMENT PREPARATION Vergell Medical S.A. (CH) 2015-07-16 — — 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-20150196573-A1 PROCESS FOR PRODUCING AN INJECTABLE MEDICAMENT PREPARATION MMP1, MMP2, DNPEP CHN2 2706/4885PRKCD 4815/4885MEN1 1234/4885

“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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