SCHEMBL639038

SCHEMBL639038

CC(C)C(=C(c1ccc(O)cc1)c1ccc(OCN(C)C)cc1)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESRRB O95718 7/20 0.77
CYP19A1 P11511 4/20 0.73
ESR1 P03372 14/20 0.67
ESR2 Q92731 8/20 0.67
ESRRG P62508 6/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
HIF1A Q16665 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PLD2 O14939 1/20 0.51
PGR P06401 1/20 0.51
PLD1 Q13393 1/20 0.51
ESRRA P11474 1/20 0.47

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
SCHEMBL639036 1.00 ESRRB (0.77) ESRRBCYP19A1ESR1ESR2ESRRG
SCHEMBL639037 1.00 ESRRB (0.77) ESRRBCYP19A1ESR1ESR2ESRRG
SCHEMBL10047996 0.87 ESRRB (1.00) ESRRBCYP19A1ESR1ESR2ESRRG
SCHEMBL10016265 0.87 ESRRB (1.00) ESRRBCYP19A1ESR1ESR2ESRRG
SCHEMBL10016271 0.81 CYP19A1 (0.66) ESRRBCYP19A1ESR1ESR2MEN1
SCHEMBL20534161 0.80 ESRRB (0.64) ESRRBCYP19A1ESR1ESR2ESRRG
SCHEMBL8765689 0.76 ESR1 (0.59) CYP19A1ESR1ESR2KDM4EMEN1
SCHEMBL638915 0.74 ESRRB (1.00) ESRRBCYP19A1ESR1ESR2ESRRG
SCHEMBL638890 0.74 ESRRB (1.00) ESRRBCYP19A1ESR1ESR2ESRRG
SCHEMBL638891 0.74 ESRRB (1.00) ESRRBCYP19A1ESR1ESR2ESRRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590056-B2 ERR modulators and uses thereof CITY OF HOPE (US) 2020-03-17 US disclosed
US-20180297923-A1 ERR MODULATORS AND USES THEREOF CITY OF HOPE 2018-10-18 US disclosed
US-8119695-B2 Compounds and methods for treating breast cancer and other diseases CITY OF HOPE (US) 2012-02-21 US disclosed
US-20090176305-A1 COMPOUNDS AND METHODS FOR TREATING BREAST CANCER AND OTHER DISEASES CITY OF HOPE 2009-07-09 US disclosed
US-7531578-B2 Acetic acid 4-{1-[4-(2-dimethylamino-ethoxy)-phenyl]-2-phenyl-but-1-enyl}-phenyl ester; estrogen related receptor (ERR beta or ERR gamma) antagonist; thirty times more effective than 4-hydroxytamoxifen CITY OF HOPE (US) 2009-05-12 US disclosed
US-20050096384-A1 Compounds and methods for treating breast cancer and other diseases CITY OF HOPE 2005-05-05 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 (3 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-20180297923-A1 ERR MODULATORS AND USES THEREOF ESRRA, ESRRB, ESRRG ESRRB 2/4885CYP19A1 74/4885ESR1 43/4885
US-10590056-B2 ERR modulators and uses thereof ESRRA, ESRRB, ESRRG ESRRB 2/4885CYP19A1 74/4885ESR1 43/4885
US-20050096384-A1 Compounds and methods for treating breast cancer and other diseases ESRRB, ESRRG, ESRRA ESRRB 1/4885CYP19A1 9/4885ESR1 7/4885

“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.