SCHEMBL916776

SCHEMBL916776

CC(C)(C)c1ccc2c(c1)C1C=CCC1C(C1=COC(c3ccccc3Br)O1)N2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GPER1 Q99527 3/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL916392 0.86 MAPT (0.54) MAPTMEN1KMT2AGPER1LMNA
SCHEMBL916447 0.82 MAPT (0.43) MAPTMEN1KMT2AGPER1LMNA
SCHEMBL916069 0.78 AR (0.38) MAPTMEN1KMT2AGPER1LMNA
SCHEMBL5331278 0.76 BCL2L1 (0.38) MAPTMEN1KMT2AGPER1LMNA
SCHEMBL916774 0.73 MAPT (0.73) MAPTMEN1KMT2AGPER1LMNA
SCHEMBL916165 0.72 KMT2A (0.55) MAPTMEN1KMT2AGPER1LMNA
SCHEMBL917264 0.72 ESR1 (0.37) MAPTMEN1KMT2AGPER1LMNA
SCHEMBL915341 0.71 KMT2A (0.52) MAPTMEN1KMT2AGPER1LMNA
SCHEMBL916037 0.71 ESR1 (0.37) MAPTMEN1KMT2AGPER1LMNA
SCHEMBL915287 0.70 KMT2A (0.52) MAPTMEN1KMT2AGPER1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2007019180-A2 COMPOUNDS FOR BINDING TO ERALPHA/BETA AND GPR30, METHODS OF TREATING DISEASE STATES AND CONDITIONS MEDIATED THROUGH THESE RECEPTORS AND IDENTIFICATION THEREOF SCIENCE & TECHNOLOGY CORPORATION @ UNM (US) 2007-02-15 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-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 MAPT 1807/4885MEN1 1068/4885KMT2A 4138/4885

“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.