SCHEMBL13073545

SCHEMBL13073545

CC(C)(C)COC(=O)OC(=O)c1ccc(C(OCCC23CC4CC(CC(C4)C2)C3)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
ALDH1A1 P00352 6/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 2/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
NTSR1 P30989 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
P2RX7 Q99572 2/20 0.36
PPARG P37231 1/20 0.34
SCN9A Q15858 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
MAPT P10636 3/20 0.33
HSP90AA1 P07900 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL13073535 0.79 TK2 (0.37) MEN1KMT2AALDH1A1MAPK1LMNA
SCHEMBL13073472 0.77 P2RX7 (0.37) MEN1KMT2AALDH1A1CYP2D6MAPK1
SCHEMBL13184639 0.76 P2RX7 (0.37) MEN1KMT2AALDH1A1CYP2D6MAPK1
SCHEMBL13073533 0.75 ALDH1A1 (0.39) ALDH1A1MAPK1LMNAMAPTPOLB
SCHEMBL13184640 0.74 MEN1 (0.34) MEN1KMT2AALDH1A1CYP2D6MAPK1
SCHEMBL13073642 0.74 P2RX7 (0.39) MEN1KMT2AALDH1A1CYP2D6MAPK1
SCHEMBL17344400 0.66 TDP1 (0.50) MEN1KMT2AALDH1A1CYP2D6MAPK1
SCHEMBL14306992 0.64 HSP90AA1 (0.46) MEN1KMT2AALDH1A1CYP2D6MAPK1
SCHEMBL27853764 0.63 KIF11 (0.55) LMNASLC6A1SLC6A11
SCHEMBL2386670 0.62 PPARG (0.56) MEN1KMT2AALDH1A1MAPK1PPARG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9034798-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CAPROTEC BIOANALYTICS GMBH (DE) 2015-05-19 US disclosed
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-11-25 US disclosed
US-20100248264-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-09-30 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-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CHLSN, PTMS, SRMS MEN1 2224/4885KMT2A 4241/4885ALDH1A1 4064/4885

“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.