SCHEMBL19794366

SCHEMBL19794366

CC1(C)OB(c2ccc3c(ccn4c5c(c(=O)nc34)C3CCC5(C)C3(C)C)c2)OC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 14/20 0.33
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
CYP3A4 P08684 3/20 0.32
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL19801333 0.81 PRMT5 (0.32) IDO1TDO2PRMT5WDR77
SCHEMBL21202907 0.79 PRMT5 (0.35) IDO1TDO2PRMT5WDR77
SCHEMBL19794408 0.79 HSD11B1 (0.40) HSD11B1CYP3A4LMNA
SCHEMBL18015474 0.77 PRMT5 (0.33) IDO1TDO2PRMT5WDR77
SCHEMBL15840869 0.73 HSD11B1 (0.39) HSD11B1CYP3A4LMNA
SCHEMBL15840872 0.73 HSD11B1 (0.38) HSD11B1CYP3A4LMNASMN1; SMN2MEN1
SCHEMBL18015485 0.73 PRMT5 (0.39) IDO1TDO2PRMT5WDR77
SCHEMBL21202866 0.70 PRMT5 (0.32) IDO1TDO2PRMT5WDR77
SCHEMBL17298918 0.69 HSD11B1 (0.46) HSD11B1CYP3A4LMNASMN1; SMN2MEN1
SCHEMBL18015572 0.69 PRMT5 (0.35) IDO1TDO2PRMT5WDR77

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-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 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-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 HSD11B1 4284/4885IDO1 1884/4885TDO2 2622/4885

“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.