SCHEMBL5863902

SCHEMBL5863902

CC(C)(C)CC(=O)N(Cc1ccc(OC2CCCCO2)cc1Cl)c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.40
POLB P06746 2/20 0.40
HRH3 Q9Y5N1 4/20 0.37
KCNH2 Q12809 1/20 0.37
PSMB1 P20618 3/20 0.37
PSMB5 P28074 3/20 0.37
PSMB2 P49721 3/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL5864049 0.84 TP53 (0.40) KDM4EPOLBPSMB1PSMB5PSMB2
SCHEMBL5863880 0.84 ESR1 (0.47) KDM4EPOLBHRH3PSMB1PSMB5
SCHEMBL5863672 0.79 HRH3 (0.37) KDM4EPOLBHRH3KCNH2
SCHEMBL5863736 0.78 EPHX2 (0.46) KDM4EPOLBHRH3KCNH2PSMB1
SCHEMBL5863302 0.76 LTA4H (0.47) KDM4EPOLBHRH3KCNH2ALDH1A1
SCHEMBL5863865 0.76 PDK1 (0.44) KDM4EPOLBHRH3KCNH2ALDH1A1
SCHEMBL6152313 0.75 PDK1 (0.47) KDM4EPOLBALDH1A1SMN1; SMN2ESR1
SCHEMBL5863857 0.74 LTA4H (0.48) KDM4EALDH1A1MEN1KMT2A
SCHEMBL5863556 0.73 PDK1 (0.50) KDM4EHRH3PSMB1PSMB5PSMB2
SCHEMBL5863787 0.70 KDM4E (0.43) KDM4EPOLBHRH3PSMB1PSMB5

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 4 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
EP-1542967-A1 AMIDE AND SULFONAMIDE LIGANDS FOR THE ESTROGEN RECEPTOR Pfizer Products Inc. (US) 2005-06-22 EP disclosed
US-20040110767-A1 Acyclic amide and sulfonamide ligands for the estrogen receptor PFIZER INC 2004-06-10 US disclosed
WO-2004026823-A1 AMIDE AND SULFONAMIDE LIGANDS FOR THE ESTROGEN RECEPTOR PFIZER PRODUCTS INC. (US) 2004-04-01 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-20040110767-A1 Acyclic amide and sulfonamide ligands for the estrogen receptor GHSR, GPER1, SSTR1 KDM4E 2815/4885POLB 4761/4885HRH3 1036/4885

“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.