SCHEMBL12106949

SCHEMBL12106949

COC(=O)C12CC3CC(C1)CC(C14CC5CC(CC(NC(=O)OC(C)(C)C)(C5)C1)C4)(C3)C2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
DPP9 Q86TI2 5/20 0.45
DPP8 Q6V1X1 4/20 0.45
EPHX2 P34913 2/20 0.39
HSD11B1 P28845 1/20 0.39
CACNA1H O95180 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GLA P06280 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL5804382 0.92 MEN1 (0.51) MEN1KMT2AMAPK1DPP9DPP8
SCHEMBL12104313 0.89 MEN1 (0.48) MEN1KMT2AMAPK1DPP9DPP8
SCHEMBL12104073 0.81 NPSR1 (0.45) MEN1KMT2AALDH1A1TSHRL3MBTL1
SCHEMBL2221231 0.80 MEN1 (0.52) MEN1KMT2AMAPK1DPP9DPP8
SCHEMBL6225929 0.80 GLA (0.46) MEN1KMT2AEPHX2ALDH1A1RXFP1
SCHEMBL5802496 0.79 MEN1 (0.51) MEN1KMT2AMAPK1DPP9DPP8
SCHEMBL16259930 0.78 MEN1 (0.52) MEN1KMT2AMAPK1DPP9DPP8
SCHEMBL13287421 0.77 MEN1 (0.55) MEN1KMT2AMAPK1DPP9DPP8
SCHEMBL136224 0.76 KMT2A (0.73) MEN1KMT2AMAPK1DPP9DPP8
SCHEMBL15191498 0.76 MEN1 (0.54) MEN1KMT2AMAPK1DPP9DPP8

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-8309597-B2 1,1′-diadamantyl carboxylic acids, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-13 US disclosed
US-20110269736-A1 1,1'-Diadamantyl carboxylic acids, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2011-11-03 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-20110269736-A1 1,1'-Diadamantyl carboxylic acids, medicaments containing such compounds and their use HSD11B1, HSD17B1, HSD3B1 MEN1 1772/4885KMT2A 3062/4885MAPK1 890/4885

“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.