SCHEMBL5863736

SCHEMBL5863736

O=C(NCc1ccc(OC2CCCCO2)cc1Cl)c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.46
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
PSMB1 P20618 1/20 0.43
PSMB5 P28074 1/20 0.43
PSMB2 P49721 1/20 0.43
HRH3 Q9Y5N1 6/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM1A O60341 1/20 0.41
HDAC1 Q13547 1/20 0.41
LTA4H P09960 1/20 0.41
GLA P06280 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KCNH2 Q12809 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
MCHR1 Q99705 1/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
ESR1 P03372 1/20 0.40

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
SCHEMBL5863787 0.88 KDM4E (0.43) EPHX2KDM4EPOLBPSMB1PSMB5
SCHEMBL5863302 0.85 LTA4H (0.47) KDM4EPOLBHRH3LTA4HKCNH2
SCHEMBL5863952 0.81 EPHX2 (0.54) EPHX2PSMB1PSMB5PSMB2HRH3
SCHEMBL5864259 0.80 MCHR1 (0.55) EPHX2KDM4EPSMB1PSMB5PSMB2
SCHEMBL5863925 0.80 EPHX2 (0.49) EPHX2KDM4EPOLBPSMB1PSMB5
SCHEMBL5863902 0.78 KDM4E (0.40) KDM4EPOLBPSMB1PSMB5PSMB2
SCHEMBL5863668 0.77 KDR (0.60) HRH3MEN1KMT2ALTA4HMCHR1
SCHEMBL5864049 0.76 TP53 (0.40) KDM4EPOLBPSMB1PSMB5PSMB2
SCHEMBL5863672 0.73 HRH3 (0.37) KDM4EPOLBHRH3LTA4HKCNH2
SCHEMBL5863794 0.73 LTA4H (0.46) KDM4EPSMB1PSMB5PSMB2HRH3

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 1166/4885KDM4E 2815/4885POLB 4761/4885

“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.