SCHEMBL1769917

SCHEMBL1769917

O=C(CBr)C1(c2ccc(Cl)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 10/20 0.51
▸ HDAC4 P56524 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ GSK3B P49841 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ OPRM1 P35372 1/20 0.42
▸ TET3 O43151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ FBXL19 Q6PCT2 1/20 0.41
▸ CXXC5 Q7LFL8 1/20 0.41
▸ KDM2B Q8NHM5 1/20 0.41
▸ CXXC4 Q9H2H0 1/20 0.41
▸ KDM2A Q9Y2K7 1/20 0.41

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
SCHEMBL1770012 0.93 HDAC4 (0.58) HSD11B1HDAC4ALDH1A1SMN1; SMN2GSK3B
SCHEMBL1769960 0.93 HDAC4 (0.54) HSD11B1HDAC4ALDH1A1SMN1; SMN2GSK3B
SCHEMBL1769973 0.91 HDAC4 (0.57) HSD11B1HDAC4ALDH1A1SMN1; SMN2GAA
SCHEMBL4445340 0.83 HSD11B1 (0.53) HSD11B1HDAC4ALDH1A1SMN1; SMN2GSK3B
SCHEMBL5007609 0.83 HSD11B1 (0.53) HSD11B1HDAC4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL13545175 0.81 HSD11B1 (0.51) HSD11B1HDAC4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL5644547 0.81 OPRM1 (0.42) HSD11B1ALDH1A1SMN1; SMN2GSK3BOPRM1
SCHEMBL19207553 0.81 AKR1C1 (0.52) HSD11B1HDAC4SMN1; SMN2GSK3BHTT
SCHEMBL8506341 0.80 HDAC4 (0.51) HSD11B1HDAC4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL15778834 0.80 SMN1; SMN2 (0.53) HSD11B1HDAC4ALDH1A1SMN1; SMN2KDM4E

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 HSD11B1 1/4885HDAC4 1338/4885ALDH1A1 307/4885

“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.

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