SCHEMBL4147789

SCHEMBL4147789

O=C(c1ccc(O)cc1O)N1CCSCC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 3/20 0.58
HSP90AA1 P07900 2/20 0.58
CES2 O00748 1/20 0.48
ALDH1A1 P00352 3/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
TSHR P16473 1/20 0.47
HPGD P15428 3/20 0.46
HSD17B10 Q99714 1/20 0.46
PDK2 Q15119 8/20 0.46
PDK4 Q16654 8/20 0.46
PDK1 Q15118 7/20 0.46
PDK3 Q15120 7/20 0.46
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL4143277 0.90 HSP90AB1 (0.55) HSP90AB1HSP90AA1CES2ALDH1A1CA12
SCHEMBL4159603 0.84 HSP90AA1 (0.63) HSP90AB1HSP90AA1CES2ALDH1A1CA12
SCHEMBL4155308 0.83 HSP90AA1 (0.61) HSP90AB1HSP90AA1CES2ALDH1A1CA12
SCHEMBL19409984 0.80 HSP90AA1 (0.60) HSP90AB1HSP90AA1CES2ALDH1A1CA12
SCHEMBL4159615 0.78 HSP90AA1 (0.55) HSP90AB1HSP90AA1ALDH1A1CA12CA1
SCHEMBL4506219 0.75 HPGD (0.71) ALDH1A1HPGDHSD17B10
SCHEMBL4145967 0.74 HSP90AB1 (0.55) HSP90AB1HSP90AA1CES2ALDH1A1CA12
SCHEMBL4494253 0.74 HPGD (0.55) ALDH1A1CA12CA1CA2CA7
SCHEMBL3792423 0.74 HSP90AA1 (0.51) HSP90AB1HSP90AA1CES2PDK2PDK4
SCHEMBL383175 0.73 HSP90AA1 (1.00) HSP90AB1HSP90AA1PDK2PDK4PDK1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215742-A1 AMIDE RESORCINOL COMPOUNDS PFIZER, INC. 2009-08-27 US claimed
EP-1879863-A1 AMIDE RESORCINOL COMPOUNDS Pfizer, Inc. (US) 2008-01-23 EP claimed
WO-2006117669-A1 AMIDE RESORCINOL COMPOUNDS PFIZER INC. (US) 2006-11-09 WO claimed
US-20090215742-A1 AMIDE RESORCINOL COMPOUNDS PFIZER, INC. 2009-08-27 US disclosed
US-20090215742-A1 AMIDE RESORCINOL COMPOUNDS PFIZER, INC. 2009-08-27 US disclosed
US-20090215742-A1 AMIDE RESORCINOL COMPOUNDS PFIZER, INC. 2009-08-27 US disclosed
EP-1879863-A1 AMIDE RESORCINOL COMPOUNDS Pfizer, Inc. (US) 2008-01-23 EP disclosed
WO-2006117669-A1 AMIDE RESORCINOL COMPOUNDS PFIZER INC. (US) 2006-11-09 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-20090215742-A1 AMIDE RESORCINOL COMPOUNDS HSP90AB1, HSP90AA1, HSP90AB2P HSP90AB1 1/4885HSP90AA1 2/4885CES2 1392/4885

“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.