SCHEMBL4152644

SCHEMBL4152644

O=C(c1ccc(O)cc1O)N1CCC(Cc2cnccn2)C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPR P35270 3/20 0.45
PDK1 Q15118 9/20 0.41
HSP90AB1 P08238 2/20 0.40
HSP90AA1 P07900 1/20 0.40
PDK2 Q15119 8/20 0.39
PDK3 Q15120 8/20 0.39
PDK4 Q16654 8/20 0.39
VNN1 O95497 4/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
GRIN2B Q13224 1/20 0.38

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
SCHEMBL4151498 0.85 PDK1 (0.42) PDK1HSP90AB1HSP90AA1PDK2PDK3
SCHEMBL4155107 0.78 HSP90AA1 (0.50) SPRPDK1HSP90AB1HSP90AA1PDK2
SCHEMBL4151317 0.78 SPR (0.60) SPRHSP90AB1HSP90AA1CYP2C9GRIN2B
SCHEMBL4160027 0.76 SLC6A7 (0.41) PDK1HSP90AB1HSP90AA1PDK2PDK3
SCHEMBL3792423 0.71 HSP90AA1 (0.51) PDK1HSP90AB1HSP90AA1PDK2PDK3
SCHEMBL4145929 0.71 SLC6A7 (0.55) SPRHSP90AB1HSP90AA1
SCHEMBL4151901 0.71 SPR (0.62) SPRPDK1HSP90AB1HSP90AA1CYP2C9
SCHEMBL4151865 0.71 HTR2A (0.46) PDK1HSP90AB1HSP90AA1PDK2PDK3
SCHEMBL4146438 0.70 GRIN2D (0.47) SPRPDK1HSP90AB1HSP90AA1PDK2
SCHEMBL9785745 0.70 CYP2C9 (0.63) SPRCYP2C9GRIN2B

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 SPR 906/4885PDK1 3183/4885HSP90AB1 1/4885

“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.