SCHEMBL5863673

SCHEMBL5863673

c1cc(CNc2ccc(OCCN3CCCC3)cc2)cc(OC2CCCCO2)c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.59
CACNA1B Q00975 11/20 0.49
HRH3 Q9Y5N1 3/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DHFR P00374 1/20 0.44
KCNH2 Q12809 1/20 0.44
CACNA1H O95180 2/20 0.43

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
SCHEMBL5863370 0.89 LTA4H (0.61) LTA4HCACNA1BHRH3KCNH2CACNA1H
SCHEMBL5863728 0.84 LTA4H (0.51) LTA4HCACNA1BHRH3KDM4ESMN1; SMN2
SCHEMBL5863302 0.84 LTA4H (0.47) LTA4HCACNA1BHRH3KDM4EALDH1A1
SCHEMBL5864252 0.83 MEN1 (0.55) LTA4HKDM4EALDH1A1SMN1; SMN2DHFR
SCHEMBL5863794 0.83 LTA4H (0.46) LTA4HCACNA1BHRH3KDM4EKCNH2
SCHEMBL5863641 0.82 LTA4H (0.54) LTA4HCACNA1BHRH3KCNH2CACNA1H
SCHEMBL5863668 0.81 KDR (0.60) LTA4HHRH3SMN1; SMN2
SCHEMBL5863905 0.81 DHFR (0.48) KDM4EALDH1A1DHFR
SCHEMBL5864113 0.76 LTA4H (0.73) LTA4HCACNA1BHRH3KCNH2CACNA1H
SCHEMBL5863976 0.76 LTA4H (0.73) LTA4HCACNA1BHRH3CACNA1H

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 LTA4H 1687/4885CACNA1B 1176/4885HRH3 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.