SCHEMBL2321362

SCHEMBL2321362

CC1(C)CC(O)CC(C)(CNc2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.40
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ICMT O60725 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
OPRK1 P41145 1/20 0.35
USP2 O75604 2/20 0.35
LMNA P02545 4/20 0.35
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SMYD2 Q9NRG4 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL2318932 0.86 MAPT (0.42) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL12350747 0.86 HSD11B1 (0.36) HSD11B1
SCHEMBL12350758 0.86 HSD11B1 (0.36) HSD11B1
SCHEMBL12359241 0.86 AR (0.39) HSD11B1
SCHEMBL12359297 0.86 BCDIN3D (0.36) HSD11B1
SCHEMBL2322122 0.85 HSD11B1 (0.39) HSD11B1SLC6A3KMT2AMEN1NPC1
SCHEMBL12350764 0.84 HSD11B1 (0.41) HSD11B1NPC1RAB9ALMNAMAPT
SCHEMBL2324011 0.83 HSD11B1 (0.43) HSD11B1SLC6A4SLC6A3KMT2AMEN1
SCHEMBL12350721 0.82 HSD11B1 (0.42) HSD11B1ICMT
SCHEMBL2322874 0.82 HSD11B1 (0.41) HSD11B1KMT2AMEN1NPC1RAB9A

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 6 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-2011095576-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-2011094953-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 433/4885SLC6A4 127/4885SLC6A3 436/4885

“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.