SCHEMBL5863669

SCHEMBL5863669

CC(Nc1ccc(OCCN2CCCC2)cc1)c1ccc(OC2CCCCO2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 3/20 0.49
PSMB5 P28074 3/20 0.49
HRH3 Q9Y5N1 7/20 0.47
KCNH2 Q12809 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LTA4H P09960 5/20 0.42
KDM4E B2RXH2 1/20 0.42
PSMB2 P49721 2/20 0.41
AXL P30530 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
SCHEMBL5864226 0.85 LTA4H (0.47) PSMB1PSMB5HRH3KCNH2ALDH1A1
SCHEMBL5863370 0.81 LTA4H (0.61) PSMB1PSMB5HRH3KCNH2LTA4H
SCHEMBL5864259 0.78 MCHR1 (0.55) PSMB1PSMB5HRH3ALDH1A1MEN1
SCHEMBL5863673 0.75 LTA4H (0.59) HRH3KCNH2ALDH1A1LTA4HKDM4E
SCHEMBL5863794 0.75 LTA4H (0.46) PSMB1PSMB5HRH3KCNH2LTA4H
SCHEMBL5864125 0.75 HRH3 (0.47) PSMB1PSMB5HRH3KCNH2LTA4H
SCHEMBL5863302 0.74 LTA4H (0.47) HRH3KCNH2ALDH1A1LTA4HKDM4E
SCHEMBL5863641 0.74 LTA4H (0.54) HRH3KCNH2MEN1KMT2ALTA4H
SCHEMBL5863668 0.73 KDR (0.60) HRH3MEN1KMT2ALTA4H
SCHEMBL5863728 0.73 LTA4H (0.51) PSMB1PSMB5HRH3KCNH2LTA4H

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 PSMB1 2557/4885PSMB5 1457/4885HRH3 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.