SCHEMBL916069

SCHEMBL916069

CC(C)(C)OC(=O)NCCc1ccc2c(c1)C1C=CCC1C(C1=COC(c3ccccc3Br)O1)N2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.38
GPER1 Q99527 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GPR183 P32249 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 3/20 0.36
POLB P06746 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 5/20 0.36
TP53 P04637 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
GAPDH P04406 2/20 0.35
HSPA1A P0DMV8 2/20 0.35
PTPN7 P35236 2/20 0.35
PLA2G1B P04054 1/20 0.35
MIF P14174 1/20 0.35
BLM P54132 1/20 0.35

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
SCHEMBL916068 0.80 GPER1 (0.62) ARGPER1L3MBTL1GPR183NPC1
SCHEMBL5331278 0.79 BCL2L1 (0.38) ARGPER1L3MBTL1GPR183NPC1
SCHEMBL916776 0.78 MAPT (0.44) ARGPER1L3MBTL1GPR183NPC1
SCHEMBL915341 0.67 KMT2A (0.52) ARGPER1L3MBTL1GPR183NPC1
SCHEMBL915287 0.66 KMT2A (0.52) ARGPER1L3MBTL1GPR183NPC1
SCHEMBL24203419 0.64 NPC1 (0.61) GPER1L3MBTL1GPR183NPC1RAB9A
SCHEMBL12722689 0.63 GPER1 (0.60) ARGPER1L3MBTL1GPR183NPC1
SCHEMBL916308 0.63 GPER1 (0.60) ARGPER1L3MBTL1GPR183NPC1
SCHEMBL19426601 0.62 PPID (0.65) MAPTLMNATDP1CA1CA2
SCHEMBL19426530 0.62 PPID (0.41) POLBMAPTLMNATDP1CA1

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-8487100-B2 Compounds for binding to ER alpha/beta and GPR30, methods of treating disease states and conditions mediated through these receptors and identification thereof STC.UNM (US) 2013-07-16 US disclosed
US-20110092533-A1 COMPOUNDS FOR BINDING TO ER ALPHA/BETA AND GPR30, METHODS OF TREATING DISEASE STATES AND CONDITIONS MEDIATED THROUGH THESE RECEPTORS AND IDENTIFICATION THEREOF STC. UNM (US) 2011-04-21 US disclosed
US-7875721-B2 Modulators of estrogen receptor alpha/beta G protein-coupled receptor 30, e.g., 1-(4-(6-Bromo-benzo[1,3]dioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)1-ethanone; treating diseases such as cancer, neurodegenerative disorders, obesity, osteoporosis, and symptoms of menopause STC.UNM (US) 2011-01-25 US disclosed
US-20080167334-A1 Compounds for binding to ERalpha/beta and GPR30, methods of treating disease states and conditions mediated through these receptors and identification thereof ARROWHEAD CENTER, INC. 2008-07-10 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 (2 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-20110092533-A1 COMPOUNDS FOR BINDING TO ER ALPHA/BETA AND GPR30, METHODS OF TREATING DISEASE STATES AND CONDITIONS MEDIATED THROUGH THESE RECEPTORS AND IDENTIFICATION THEREOF GPER1, ESR2, ESRRG AR 49/4885GPER1 1/4885L3MBTL1 4018/4885
US-20080167334-A1 Compounds for binding to ERalpha/beta and GPR30, methods of treating disease states and conditions mediated through these receptors and identification thereof GPER1, ESR2, ESRRG AR 56/4885GPER1 1/4885L3MBTL1 3985/4885

“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.