SCHEMBL5863302

SCHEMBL5863302

Clc1cc(OC2CCCCO2)ccc1CNc1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.47
HRH3 Q9Y5N1 6/20 0.43
KCNH2 Q12809 2/20 0.43
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 1/20 0.40
BRAF P15056 1/20 0.40
MAPK14 Q16539 1/20 0.40
PTGS2 P35354 1/20 0.40
POLB P06746 1/20 0.40
CACNA1B Q00975 5/20 0.40
CACNA1H O95180 1/20 0.39

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
SCHEMBL5863794 0.87 LTA4H (0.46) LTA4HHRH3KCNH2KDM4ECACNA1B
SCHEMBL5863736 0.85 EPHX2 (0.46) LTA4HHRH3KCNH2KDM4EPOLB
SCHEMBL5863370 0.84 LTA4H (0.61) LTA4HHRH3KCNH2CACNA1BCACNA1H
SCHEMBL5863673 0.84 LTA4H (0.59) LTA4HHRH3KCNH2KDM4EALDH1A1
SCHEMBL5863641 0.83 LTA4H (0.54) LTA4HHRH3KCNH2PTGS2CACNA1B
SCHEMBL5863933 0.82 DHFR (0.36)
SCHEMBL5863728 0.78 LTA4H (0.51) LTA4HHRH3KCNH2KDM4ECACNA1B
SCHEMBL5863955 0.78 LTA4H (0.57) LTA4HHRH3PTGS2
SCHEMBL5863902 0.76 KDM4E (0.40) HRH3KCNH2KDM4EALDH1A1POLB
SCHEMBL5863672 0.75 HRH3 (0.37) LTA4HHRH3KCNH2KDM4EPTGS2

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 1687/4885HRH3 1036/4885KCNH2 1736/4885

“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.