SCHEMBL5863668

SCHEMBL5863668

O=C(Nc1ccc(OCCN2CCCC2)cc1)c1cccc(OC2CCCCO2)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.60
MCHR1 Q99705 4/20 0.55
HRH3 Q9Y5N1 1/20 0.46
MAPT P10636 2/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.45
LTA4H P09960 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL5864259 0.90 MCHR1 (0.55) KDRMCHR1HRH3MEN1NPC1
SCHEMBL5863673 0.81 LTA4H (0.59) HRH3LTA4HSMN1; SMN2
SCHEMBL5863736 0.77 EPHX2 (0.46) MCHR1HRH3MEN1KMT2ALTA4H
SCHEMBL5863787 0.75 KDM4E (0.43) MCHR1HRH3MEN1KMT2ALMNA
SCHEMBL5863370 0.75 LTA4H (0.61) HRH3LTA4H
SCHEMBL5863302 0.75 LTA4H (0.47) HRH3LTA4H
SCHEMBL4969245 0.74 MCHR1 (0.70) KDRMCHR1HRH3MAPTMEN1
SCHEMBL6815425 0.73 KDR (0.68) KDRMAPTTSHRMEN1KMT2A
SCHEMBL5863794 0.73 LTA4H (0.46) KDRHRH3LMNALTA4H
SCHEMBL5863669 0.73 PSMB1 (0.49) HRH3MEN1KMT2ALTA4H

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 KDR 1077/4885MCHR1 1402/4885HRH3 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.