SCHEMBL5863952

SCHEMBL5863952

O=C(NCc1ccc(O)cc1Cl)c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.54
ESR1 P03372 15/20 0.53
ESR2 Q92731 14/20 0.53
PSMB1 P20618 1/20 0.52
PSMB5 P28074 1/20 0.52
PSMB2 P49721 1/20 0.52
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
TP53 P04637 2/20 0.50
CYP3A4 P08684 2/20 0.50
MAPT P10636 2/20 0.50
ALOX15 P16050 2/20 0.50
KMT2A Q03164 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
KDR P35968 2/20 0.50
HRH3 Q9Y5N1 1/20 0.50
PLD2 O14939 1/20 0.50
KDM1A O60341 1/20 0.50

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
SCHEMBL5863925 0.86 EPHX2 (0.49) EPHX2ESR1ESR2PSMB1PSMB5
SCHEMBL5863807 0.86 ESR1 (0.57) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL5863955 0.83 LTA4H (0.57) ESR1ESR2KDRHRH3PTGS2
SCHEMBL5864316 0.82 PSMB1 (0.59) ESR1ESR2PSMB1PSMB5PSMB2
Hydrochloric Acid SCHEMBL5863873 0.81 PSMB1 (0.57) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL5863974 0.81 KDR (0.59) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL5863736 0.81 EPHX2 (0.46) EPHX2ESR1ESR2PSMB1PSMB5
Trifluoroacetic Acid SCHEMBL5863930 0.79 HRH3 (0.51) ESR1ESR2KDRHRH3
SCHEMBL5864234 0.79 EPHX2 (0.43) EPHX2LMNADRD2HRH2DRD3
SCHEMBL14287743 0.76 GLA (0.74) PSMB1PSMB5PSMB2ALDH1A1HRH3

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 EPHX2 1166/4885ESR1 4/4885ESR2 12/4885

“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.