SCHEMBL5863787

SCHEMBL5863787

COc1cc(OC2CCCCO2)ccc1CNC(=O)c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
MMP2 P08253 1/20 0.43
MMP13 P45452 1/20 0.43
LMNA P02545 3/20 0.43
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC5A7 Q9GZV3 1/20 0.43
EPHX2 P34913 2/20 0.43
MCHR1 Q99705 1/20 0.43
NAMPT P43490 1/20 0.42
PSMB1 P20618 1/20 0.41
PSMB5 P28074 1/20 0.41
PSMB2 P49721 1/20 0.41
HPGD P15428 1/20 0.41
GLA P06280 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
ROCK2 O75116 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL5863736 0.88 EPHX2 (0.46) KDM4EPOLBEPHX2MCHR1PSMB1
SCHEMBL5863794 0.85 LTA4H (0.46) KDM4ELMNAPSMB1PSMB5PSMB2
SCHEMBL5863807 0.81 ESR1 (0.57) KDM4ELMNAPOLBSMN1; SMN2MCHR1
SCHEMBL5864259 0.79 MCHR1 (0.55) KDM4ELMNASMN1; SMN2EPHX2MCHR1
SCHEMBL5863668 0.75 KDR (0.60) LMNASMN1; SMN2MCHR1HRH3MEN1
SCHEMBL5863302 0.73 LTA4H (0.47) KDM4EPOLBHRH3
SCHEMBL9815591 0.72 DRD3 (0.67) KDM4ELMNAPOLBSMN1; SMN2SLC5A7
SCHEMBL5863641 0.71 LTA4H (0.54) HRH3MEN1KMT2A
SCHEMBL5863673 0.70 LTA4H (0.59) KDM4ESMN1; SMN2HRH3
SCHEMBL5863370 0.70 LTA4H (0.61) PSMB1PSMB5PSMB2HRH3

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 KDM4E 2815/4885MMP2 1702/4885MMP13 2401/4885

“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.