SCHEMBL638915

SCHEMBL638915

CC(=O)Oc1ccc(C(=C(c2ccccc2)C(C)C)c2ccc(OCCN(C)C)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRB O95718 7/20 1.00
ESR1 P03372 9/20 0.77
ESR2 Q92731 4/20 0.56
MAPT P10636 3/20 0.56
HTR6 P50406 2/20 0.56
MEN1 O00255 2/20 0.56
TP53 P04637 2/20 0.56
CYP3A4 P08684 2/20 0.56
KMT2A Q03164 2/20 0.56
NPC1 O15118 1/20 0.56
NR1I2 O75469 1/20 0.56
PRKD3 O94806 1/20 0.56
ABCB11 O95342 1/20 0.56
EGFR P00533 1/20 0.56
GBA1 P04062 1/20 0.56
NR3C1 P04150 1/20 0.56
ERBB2 P04626 1/20 0.56
PRKCG P05129 1/20 0.56
CYP1A2 P05177 1/20 0.56
PRKCB P05771 1/20 0.56

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
SCHEMBL638891 1.00 ESRRB (1.00) ESRRBESR1ESR2MAPTHTR6
SCHEMBL638890 1.00 ESRRB (1.00) ESRRBESR1ESR2MAPTHTR6
SCHEMBL10016281 0.93 ESRRB (0.88) ESRRBESR1ESR2MAPTHTR6
SCHEMBL10047996 0.87 ESRRB (1.00) ESRRBESR1ESR2MAPTMEN1
SCHEMBL10016265 0.87 ESRRB (1.00) ESRRBESR1ESR2MAPTMEN1
SCHEMBL640131 0.84 ESR1 (0.81) ESRRBESR1ESR2MAPTHTR6
SCHEMBL640130 0.84 ESR1 (0.81) ESRRBESR1ESR2MAPTHTR6
SCHEMBL640132 0.84 ESR1 (0.81) ESRRBESR1ESR2MAPTHTR6
SCHEMBL936134 0.83 ESRRB (0.75) ESRRBESR1ESR2MAPTHTR6
SCHEMBL7598659 0.79 ESR1 (0.69) ESRRBESR1ESR2MAPTHTR6

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 10 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-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-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-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-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 2/4885ESR1 43/4885ESR2 7/4885
US-10590056-B2 ERR modulators and uses thereof ESRRA, ESRRB, ESRRG ESRRB 2/4885ESR1 43/4885ESR2 7/4885
US-20050096384-A1 Compounds and methods for treating breast cancer and other diseases ESRRB, ESRRG, ESRRA ESRRB 1/4885ESR1 7/4885ESR2 4/4885

“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.