SCHEMBL915287

SCHEMBL915287

CC(=O)c1ccc2c(c1)C1C=CCC1C(C1=COC(c3ccccc3C#C[Si](C)(C)C)O1)N2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
MAPT P10636 5/20 0.52
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 4/20 0.52
GAA P10253 3/20 0.52
KDM4E B2RXH2 3/20 0.52
POLB P06746 2/20 0.52
PKM P14618 1/20 0.52
RECQL P46063 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.49
MASP2 O00187 2/20 0.49
USP2 O75604 1/20 0.49
NSD2 O96028 1/20 0.49
ALPL P05186 1/20 0.49
APOBEC3A P31941 1/20 0.49
MCL1 Q07820 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
GPER1 Q99527 2/20 0.49
GPR183 P32249 1/20 0.49
NPC1 O15118 1/20 0.49

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
SCHEMBL915341 0.90 KMT2A (0.52) KMT2AMAPTALDH1A1MEN1GAA
SCHEMBL916165 0.84 KMT2A (0.55) KMT2AMAPTALDH1A1MEN1GAA
SCHEMBL915286 0.77 GPER1 (0.73) KMT2AMAPTALDH1A1MEN1GAA
SCHEMBL14582287 0.73 KMT2A (0.80) KMT2AMAPTALDH1A1MEN1GAA
SCHEMBL21105585 0.72 GPER1 (0.71) KMT2AMAPTALDH1A1MEN1GAA
SCHEMBL20506706 0.72 GPER1 (0.71) KMT2AMAPTALDH1A1MEN1GAA
SCHEMBL21105590 0.70 KMT2A (0.67) KMT2AMAPTALDH1A1MEN1GAA
SCHEMBL22493183 0.70 KMT2A (0.67) KMT2AMAPTALDH1A1MEN1GAA
SCHEMBL916776 0.70 MAPT (0.44) KMT2AMAPTALDH1A1MEN1GAA
SCHEMBL916392 0.69 MAPT (0.54) KMT2AMAPTALDH1A1MEN1GAA

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 5 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
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 (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 KMT2A 4342/4885MAPT 1322/4885ALDH1A1 2014/4885
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 KMT2A 4138/4885MAPT 1807/4885ALDH1A1 1647/4885

“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.