SCHEMBL5863807

SCHEMBL5863807

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.57
ESR2 Q92731 12/20 0.57
KDM4E B2RXH2 2/20 0.54
F2 P00734 1/20 0.52
POLB P06746 2/20 0.51
LMNA P02545 3/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 2/20 0.51
TP53 P04637 2/20 0.51
CYP3A4 P08684 2/20 0.51
MAPT P10636 2/20 0.51
ALOX15 P16050 2/20 0.51
KMT2A Q03164 2/20 0.51
HSD17B10 Q99714 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
KDR P35968 2/20 0.51
PLD2 O14939 1/20 0.51
KDM1A O60341 1/20 0.51
NR1I2 O75469 1/20 0.51
USP2 O75604 1/20 0.51

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
SCHEMBL5863952 0.86 EPHX2 (0.54) ESR1ESR2LMNAMEN1ALDH1A1
SCHEMBL5863811 0.83 LTA4H (0.55) ESR1ESR2KDM4EF2KDR
SCHEMBL5863787 0.81 KDM4E (0.43) KDM4EPOLBLMNAMEN1KMT2A
SCHEMBL5864316 0.81 PSMB1 (0.59) ESR1ESR2KDM4EKDRKDM1A
Hydrochloric Acid SCHEMBL5863873 0.80 PSMB1 (0.57) ESR1ESR2KDM4EPOLBKDR
SCHEMBL9815591 0.80 DRD3 (0.67) KDM4EPOLBLMNAALDH1A1TDP1
SCHEMBL5863974 0.79 KDR (0.59) ESR1ESR2KDM4EKDRHTT
SCHEMBL6596053 0.76 ESR1 (0.79) ESR1ESR2F2LMNAMEN1
SCHEMBL5863925 0.75 EPHX2 (0.49) ESR1ESR2KDM4EPOLBALDH1A1
SCHEMBL14287739 0.74 GLA (0.74) KDM4EPOLBALDH1A1CYP2D6CYP2C9

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 ESR1 4/4885ESR2 12/4885KDM4E 2815/4885

“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.