SCHEMBL2320544

SCHEMBL2320544

CC(C)c1cccc(NCC2(C)CC(O)CC(C)(C)C2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.40
ICMT O60725 1/20 0.40
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
FADS1 O60427 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
KIF11 P52732 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
CA2 P00918 1/20 0.32
FLT3 P36888 1/20 0.32
TYRO3 Q06418 1/20 0.32

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
SCHEMBL2324011 0.82 HSD11B1 (0.43) HSD11B1ICMTGRIN2BMEN1KMT2A
SCHEMBL2323582 0.82 HDAC4 (0.39) HSD11B1MEN1KMT2ACA2IDH1
SCHEMBL12350687 0.82 HSD11B1 (0.46) HSD11B1ICMTTDP1MEN1KMT2A
SCHEMBL2321717 0.81 ICMT (0.42) HSD11B1ICMTSIGMAR1MEN1KMT2A
SCHEMBL12350712 0.80 HSD11B1 (0.41) HSD11B1MEN1KMT2A
SCHEMBL12441823 0.80 HSD11B1 (0.39) HSD11B1
SCHEMBL12350705 0.80 ICMT (0.41) HSD11B1ICMTGRIN2BTSHRKMT2A
SCHEMBL12350698 0.80 LMNA (0.42) HSD11B1ICMTMEN1KMT2AUBE2M
SCHEMBL12350716 0.78 HSD11B1 (0.47) HSD11B1KMT2ACA2
SCHEMBL2322874 0.76 HSD11B1 (0.41) HSD11B1ICMTMEN1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011094953-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 WO claimed
WO-2011094953-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 WO disclosed
WO-2011094953-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 WO disclosed
WO-2011095576-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 WO disclosed
WO-2011095576-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 WO disclosed
US-20110195979-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 US disclosed
US-20110195979-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 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-20110195979-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA NAT1, NHERF1, ADORA1 HSD11B1 433/4885ICMT 1139/4885GRIN2D 3907/4885

“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.