SCHEMBL1030949

SCHEMBL1030949

O=C1CCc2cc(-c3ccc(O)cc3)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 5/20 1.00
MAOA P21397 2/20 0.58
MAOB P27338 2/20 0.58
PRKCI P41743 1/20 0.58
PBRM1 Q86U86 1/20 0.56
CYP1A2 P05177 1/20 0.55
CYP11B1 P15538 1/20 0.55
CYP11B2 P19099 1/20 0.55
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP2 O95551 2/20 0.46
PGR P06401 1/20 0.46
CYP26A1 O43174 2/20 0.44
MIF P14174 1/20 0.44
GRM5 P41594 1/20 0.44
PARP10 Q53GL7 1/20 0.42
PARP11 Q9NR21 1/20 0.42
MEN1 O00255 1/20 0.42
ESR1 P03372 1/20 0.42

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
SCHEMBL4090561 0.89 HSD17B1 (1.00) HSD17B1MAOAMAOBPRKCIPBRM1
SCHEMBL28655414 0.88 HSD17B1 (0.78) HSD17B1MAOAMAOBPRKCIPBRM1
SCHEMBL389710 0.84 MAOB (0.78) HSD17B1MAOAMAOBPRKCIPBRM1
SCHEMBL1745161 0.83 HSD17B1 (0.71) HSD17B1CYP1A2CYP11B1CYP11B2CASP1
SCHEMBL1747435 0.81 HSD17B1 (0.69) HSD17B1MAOAMAOBPRKCICYP1A2
SCHEMBL1745120 0.81 HSD17B1 (0.69) HSD17B1MAOAMAOBCYP1A2CYP11B1
SCHEMBL1746656 0.81 HSD17B1 (0.69) HSD17B1MAOAMAOBPRKCICYP1A2
SCHEMBL4424918 0.81 HSD17B1 (0.68) HSD17B1CYP1A2CYP11B1CYP11B2CASP1
SCHEMBL3990159 0.81 HSD17B1 (0.68) HSD17B1MAOAMAOBPRKCIPBRM1
SCHEMBL30825737 0.80 HSD17B1 (0.67) HSD17B1MAOAMAOBPRKCIPBRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200331828-A1 NOVEL COMPOUNDS WHICH ACTIVATE ESTROGEN RECEPTORS AND COMPOSITIONS AND METHODS OF USING THE SAME UNIV ILLINOIS (US) 2020-10-22 US disclosed
US-10703698-B2 Compounds which activate estrogen receptors and compositions and methods of using the same THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2020-07-07 US disclosed
US-20190002380-A1 NOVEL COMPOUNDS WHICH ACTIVATE ESTROGEN RECEPTORS AND COMPOSITIONS AND METHODS OF USING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2019-01-03 US disclosed
WO-2017120507-A1 NOVEL COMPOUNDS WHICH ACTIVATE ESTROGEN RECEPTORS AND COMPOSITIONS AND METHODS OF USING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-07-13 WO disclosed
EP-1581509-B1 1-(AMINO)INDANES AS EDG RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2011-01-19 EP disclosed
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
EP-2013176-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER Sterix Limited (GB) 2009-01-14 EP disclosed
EP-1581509-A4 1-(AMINO)INDANES AND (1,2-DIHYDRO-3-AMINO)-BENZOFURANS, BENZOTHIOPHENES AND INDOLES AS EDG RECEPTOR AGONISTS MERCK & CO INC (US) 2008-04-23 EP disclosed
WO-2007096647-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER STERIX LIMITED (GB) 2007-08-30 WO disclosed
WO-2007096647-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER STERIX LIMITED (GB) 2007-08-30 WO disclosed
US-7220734-B2 1-(amino)indanes and (1,2-dihydro-3-amino)-benzofurans, benzothiophenes and indoles as Edg receptor agonists MERCK & CO., INC. (US) 2007-05-22 US disclosed
US-7220734-B2 1-(amino)indanes and (1,2-dihydro-3-amino)-benzofurans, benzothiophenes and indoles as Edg receptor agonists MERCK & CO., INC. (US) 2007-05-22 US disclosed
US-20060161005-A1 1-(Amino)indanes and (1,2-dihydro-3-amino)-benzofurans, benzothiophenes and indoles as edg receptor agonists MERCK SHARP & DOHME CORP. 2006-07-20 US disclosed
EP-1581509-A2 1-(AMINO)INDANES AND (1,2-DIHYDRO-3-AMINO)-BENZOFURANS, BENZOTHIOPHENES AND INDOLES AS EDG RECEPTOR AGONISTS Merck & Co., Inc. (US) 2005-10-05 EP disclosed
WO-2004058149-A2 1-(AMINO)INDANES AND (1,2-DIHYDRO-3-AMINO)-BENZOFURANS, BENZOTHIOPHENES AND INDOLES MERCK & CO., INC. (US) 2004-07-15 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 (5 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-10703698-B2 Compounds which activate estrogen receptors and compositions and methods of using the same GPER1, ESRRG, ESR2 HSD17B1 159/4885MAOA 1181/4885MAOB 1219/4885
US-20190002380-A1 NOVEL COMPOUNDS WHICH ACTIVATE ESTROGEN RECEPTORS AND COMPOSITIONS AND METHODS OF USING THE SAME GPER1, ESRRG, ESR2 HSD17B1 105/4885MAOA 1433/4885MAOB 1299/4885
US-20090186900-A1 COMPOUND HSD17B2, HSD17B11, CYP17A1 HSD17B1 4/4885MAOA 470/4885MAOB 494/4885
US-20200331828-A1 NOVEL COMPOUNDS WHICH ACTIVATE ESTROGEN RECEPTORS AND COMPOSITIONS AND METHODS OF USING THE SAME GPER1, ESRRG, ESR2 HSD17B1 105/4885MAOA 1433/4885MAOB 1299/4885
US-20060161005-A1 1-(Amino)indanes and (1,2-dihydro-3-amino)-benzofurans, benzothiophenes and indoles as edg receptor agonists IDO1, IDO2, EDNRA HSD17B1 769/4885MAOA 1597/4885MAOB 1511/4885

“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.