SCHEMBL5863880

SCHEMBL5863880

CC(C)(C)CC(=O)N(Cc1ccc(O)cc1Cl)c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.47
ESR2 Q92731 10/20 0.47
KDM4E B2RXH2 3/20 0.44
POLB P06746 1/20 0.44
PDK1 Q15118 2/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
PSMB1 P20618 1/20 0.43
PSMB5 P28074 1/20 0.43
PSMB2 P49721 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
ABCC1 P33527 1/20 0.41
MAOB P27338 1/20 0.41

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 0.85 PDK1 (0.50) ESR1ESR2KDM4EPDK1PDK2
SCHEMBL5863902 0.84 KDM4E (0.40) ESR1ESR2KDM4EPOLBPSMB1
SCHEMBL5863941 0.83 HTT (0.49) ESR1ESR2KDM4EPOLBPDK1
SCHEMBL5864263 0.83 LTA4H (0.52) ESR1ESR2KDM4EPOLBPDK1
SCHEMBL5863542 0.81 PDK1 (0.48) ESR1ESR2PDK1PDK2PDK3
SCHEMBL5864170 0.75 MMP1 (0.50) ESR1ESR2HRH3
SCHEMBL5863596 0.75 ESR1 (0.46) ESR1ESR2KDM4EPOLBHRH3
SCHEMBL5863730 0.74 ESR1 (0.50) ESR1ESR2KDM4EPOLB
SCHEMBL5863643 0.74 ESR1 (0.49) ESR1ESR2
SCHEMBL5864192 0.74 ESR1 (0.42) ESR1ESR2ABCC1

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 ESR1 4/4885ESR2 12/4885KDM4E 2815/4885

“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.