SCHEMBL5864210

SCHEMBL5864210

CCC(CC)C(=O)N(Cc1ccc(O)cc1)c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.52
PDK2 Q15119 1/20 0.52
PDK3 Q15120 1/20 0.52
PDK4 Q16654 1/20 0.52
KDM4E B2RXH2 1/20 0.48
ESR1 P03372 6/20 0.47
ESR2 Q92731 4/20 0.47
HRH3 Q9Y5N1 1/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL5863556 0.82 PDK1 (0.50) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL5864176 0.78 LTA4H (0.58) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL2112306 0.75 ESR1 (0.62) KDM4EESR1ESR2HRH3ALDH1A1
SCHEMBL2475993 0.74 ESR1 (0.75) KDM4EESR1ESR2HRH3
SCHEMBL5864177 0.74 MMP1 (0.54) ESR1ESR2HRH3HTT
SCHEMBL5649675 0.73 PSMB1 (0.82) ESR1ESR2HRH3
SCHEMBL1359959 0.73 ESR1 (0.76) KDM4EESR1ESR2HRH3
SCHEMBL699174 0.73 ESR1 (0.76) KDM4EESR1ESR2HRH3
SCHEMBL5863797 0.72 MMP1 (0.61) HRH3ALDH1A1
SCHEMBL5864219 0.72 KMT2A (0.55) ESR1ESR2HRH3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7053212-B2 Acyclic amide and sulfonamide ligands for the estrogen receptor PFIZER INC. (US) 2006-05-30 US disclosed
US-20040110767-A1 Acyclic amide and sulfonamide ligands for the estrogen receptor PFIZER INC 2004-06-10 US 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-20040110767-A1 Acyclic amide and sulfonamide ligands for the estrogen receptor GHSR, GPER1, SSTR1 PDK1 3468/4885PDK2 4004/4885PDK3 4168/4885

“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.