SCHEMBL1769982

SCHEMBL1769982

COc1cccnc1COCC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.58
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 3/20 0.47
PKM P14618 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ATM Q13315 1/20 0.46
CNR2 P34972 1/20 0.44
HSP90AA1 P07900 2/20 0.43
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 1/20 0.40

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
SCHEMBL3321013 0.79 HSD11B1 (0.60) HSD11B1ALDH1A1SMN1; SMN2KDM4EHSP90AA1
SCHEMBL1770241 0.78 HSD11B1 (0.62) HSD11B1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6085448 0.77 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL1769985 0.76 P2RX7 (0.42) HSD11B1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL12596467 0.74 ALDH1A1 (0.70) HSD11B1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3321259 0.73 HSD11B1 (1.00) HSD11B1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3322286 0.73 HSD11B1 (0.70) HSD11B1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13688887 0.73 HSD11B1 (0.56) HSD11B1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3326655 0.73 HSD11B1 (0.67) HSD11B1ALDH1A1MEN1KMT2ACNR2
SCHEMBL3323054 0.71 HSD11B1 (0.56) HSD11B1ALDH1A1SMN1; SMN2MEN1KMT2A

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 5 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
US-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2011-05-12 US disclosed
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 HSD11B1 1/4885ALDH1A1 307/4885SMN1; SMN2 2765/4885

“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.