SCHEMBL1770012

SCHEMBL1770012

O=C(CBr)C1(c2ccc(Cl)cc2)CCCC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.58
HSD11B1 P28845 9/20 0.54
ALDH1A1 P00352 4/20 0.50
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
HDAC1 Q13547 1/20 0.46
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GSK3B P49841 1/20 0.43
FFAR2 O15552 1/20 0.43

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
SCHEMBL1769973 0.98 HDAC4 (0.57) HDAC4HSD11B1ALDH1A1CHRM2CHRM1
SCHEMBL1769960 0.97 HDAC4 (0.54) HDAC4HSD11B1ALDH1A1CHRM2CHRM1
SCHEMBL1769917 0.93 HSD11B1 (0.51) HDAC4HSD11B1ALDH1A1SMN1; SMN2LMNA
SCHEMBL5845670 0.84 HDAC4 (0.60) HDAC4HSD11B1ALDH1A1CHRM2CHRM1
SCHEMBL6499510 0.83 HDAC4 (0.58) HDAC4HSD11B1ALDH1A1CHRM2CHRM1
SCHEMBL5844319 0.83 HDAC4 (0.58) HDAC4HSD11B1ALDH1A1CHRM2CHRM1
SCHEMBL7366120 0.82 CHRM2 (0.49) CHRM2CHRM1
SCHEMBL13267655 0.81 HDAC4 (0.57) HDAC4HSD11B1ALDH1A1CHRM2CHRM1
SCHEMBL3443916 0.81 HDAC4 (0.56) HDAC4HSD11B1ALDH1A1HDAC1SMN1; SMN2
SCHEMBL1770373 0.81 HDAC4 (0.56) HDAC4HSD11B1ALDH1A1HDAC1SMN1; 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 HDAC4 1338/4885HSD11B1 1/4885ALDH1A1 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.