SCHEMBL1464668

SCHEMBL1464668

COc1ccc2c(=O)n(C)c(-c3ccccc3OCCN3CCOCC3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.49
KDM4E B2RXH2 3/20 0.47
KCNH2 Q12809 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
CHEK1 O14757 1/20 0.46
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
MCHR1 Q99705 1/20 0.45
BRD4 O60885 1/20 0.45
ADRA1A P35348 1/20 0.44
AVPR1B P47901 1/20 0.44
MAOB P27338 1/20 0.44
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
MET P08581 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL1464107 0.78 EGFR (0.51) KCNH2HRH3CHEK1MCHR1ADRA1A
SCHEMBL1462922 0.77 ALDH1A1 (0.72) KDM4EAVPR1BALDH1A1LMNA
SCHEMBL1463739 0.74 CYP1A2 (0.49) KDM4EKCNH2HRH3ALDH1A1
SCHEMBL1463678 0.74 MEN1 (0.59) KDM4EAVPR1BALDH1A1LMNA
SCHEMBL1464727 0.73 ALDH1A1 (0.69) ALDH1A1
SCHEMBL7796315 0.72 CHEK1 (0.54) PTPN1KDM4ECHEK1ALDH1A1
SCHEMBL1462758 0.72 MEN1 (0.59) AVPR1BALDH1A1
SCHEMBL2004698 0.71 HRH3 (0.76) KCNH2HRH3ADRA1A
SCHEMBL1463663 0.71 KCNH2 (0.59) KDM4EKCNH2HRH3ADRA1AHTR1A
SCHEMBL7947543 0.71 PTPN1 (0.55) PTPN1KDM4EALDH1A1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071148-A1 COMPOUNDS AS THE ESTROGEN RELATED RECEPTORS MODULATORS AND THE USES THEREOF GUANGZHOU INSTITUTE OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2011-03-24 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-20110071148-A1 COMPOUNDS AS THE ESTROGEN RELATED RECEPTORS MODULATORS AND THE USES THEREOF ESRRA, ESRRB, ESRRG PTPN1 909/4885KDM4E 1222/4885KCNH2 4431/4885

“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.