SCHEMBL1769985

SCHEMBL1769985

COc1cccnc1COC1C2CC3CC(C2)CC1(C(C)=O)C3

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.42
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CNR2 P34972 5/20 0.39
FAAH O00519 2/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EPHX2 P34913 1/20 0.35
HSD11B1 P28845 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
SCHEMBL3412187 0.80 P2RX7 (0.36) P2RX7KMT2AMEN1ALDH1A1KDM4E
SCHEMBL1770243 0.79 MEN1 (0.37) P2RX7KMT2AMEN1PKMCNR2
SCHEMBL1769982 0.76 HSD11B1 (0.58) KMT2AMEN1ALDH1A1KDM4EPKM
SCHEMBL17061218 0.66 LMNA (0.53) ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL7233267 0.65 ADORA2A (0.43) KMT2AMEN1PKML3MBTL1SMN1; SMN2
SCHEMBL8497269 0.64 PLAU (0.43) KMT2AMEN1ALDH1A1KDM4EHTT
SCHEMBL506497 0.62 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1PKML3MBTL1
SCHEMBL16364773 0.62 SMN1; SMN2 (0.50) KMT2AMEN1ALDH1A1KDM4EPKM
SCHEMBL29796455 0.62 SMN1; SMN2 (0.50) KMT2AMEN1ALDH1A1KDM4EPKM
SCHEMBL24425226 0.62 CHRNB4 (0.40) KMT2AMEN1SMN1; SMN2

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-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2011-05-12 US disclosed
EP-2257528-A2 1 IBETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS Sterix Limited (GB) 2010-12-08 EP disclosed
WO-2009106817-A2 COMPOUND STERIX LIMITED (GB) 2009-09-03 WO 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-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE HSD11B1, HSD11B2, HSD3B1 P2RX7 4468/4885KMT2A 2328/4885MEN1 2644/4885

“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.