SCHEMBL4159615

SCHEMBL4159615

CC1CCN(C(=O)c2ccc(O)cc2O)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 6/20 0.55
HSP90AB1 P08238 4/20 0.55
ACHE P22303 1/20 0.51
HPGD P15428 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
PDK1 Q15118 7/20 0.51
PDK2 Q15119 7/20 0.51
PDK3 Q15120 7/20 0.51
PDK4 Q16654 7/20 0.51
ALDH1A1 P00352 3/20 0.50
TP53 P04637 2/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48

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
SCHEMBL4159603 0.82 HSP90AA1 (0.63) HSP90AA1HSP90AB1PDK1PDK2PDK3
SCHEMBL3792423 0.81 HSP90AA1 (0.51) HSP90AA1HSP90AB1PDK1PDK2PDK3
SCHEMBL4155308 0.80 HSP90AA1 (0.61) HSP90AA1HSP90AB1HPGDPDK1PDK2
SCHEMBL23029465 0.79 HPGD (0.59) HSP90AA1ACHEHPGDSMN1; SMN2ALDH1A1
SCHEMBL15000795 0.78 HSP90AA1 (0.68) HSP90AA1HSP90AB1HPGDSMN1; SMN2
SCHEMBL19409984 0.78 HSP90AA1 (0.60) HSP90AA1HSP90AB1HPGDPDK1PDK2
SCHEMBL4147789 0.78 HSP90AB1 (0.58) HSP90AA1HSP90AB1HPGDPDK1PDK2
SCHEMBL4163339 0.77 HSP90AA1 (0.48) HSP90AA1HSP90AB1HPGDPDK1PDK2
SCHEMBL4147402 0.77 HSP90AB1 (0.51) HSP90AA1HSP90AB1PDK1PDK2PDK3
SCHEMBL4161521 0.77 PARP10 (0.49) HSP90AA1HSP90AB1SMN1; SMN2PDK1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215742-A1 AMIDE RESORCINOL COMPOUNDS PFIZER, INC. 2009-08-27 US 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 HSP90AA1 2/4885HSP90AB1 1/4885ACHE 3971/4885

“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.