SCHEMBL1028352

SCHEMBL1028352

O=C1CCc2cc(-c3ccc(OCc4ccccc4)cc3)ccc21

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 17/20 0.67
MAOA P21397 16/20 0.67
GSTP1 P09211 2/20 0.58
HSD17B1 P14061 1/20 0.56
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
NFKB1 P19838 1/20 0.54
GRM5 P41594 1/20 0.54
RAB9A P51151 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL327001 0.89 MAOB (0.84) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL1028361 0.82 GSTP1 (0.57) MAOBMAOAGSTP1NPC1ALDH1A1
SCHEMBL4095412 0.82 MAOA (0.77) MAOBMAOAGSTP1HSD17B1
SCHEMBL3994786 0.81 HSD17B1 (0.59) MAOBMAOAGSTP1HSD17B1NPC1
SCHEMBL1745161 0.81 HSD17B1 (0.71) HSD17B1NPC1ALDH1A1HPGDGRM5
SCHEMBL3451690 0.81 MAOB (0.94) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL226640 0.81 MAOB (1.00) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL30353268 0.80 MAOB (0.84) MAOBMAOAGSTP1NPC1ALDH1A1
SCHEMBL2524800 0.80 MAOB (0.84) MAOBMAOAGSTP1NPC1ALDH1A1
SCHEMBL23506817 0.77 MAOB (0.74) MAOBMAOANPC1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078420-B2 Liquid crystal composition and liquid crystal display element SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2021-08-03 US disclosed
US-20190185751-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT Shijiazhuang Chengzhi Yonghua Display Material Co., Ltd (CN) 2019-06-20 US 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
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
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 (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-20090186900-A1 COMPOUND HSD17B2, HSD17B11, CYP17A1 MAOB 494/4885MAOA 470/4885GSTP1 726/4885
US-20060161005-A1 1-(Amino)indanes and (1,2-dihydro-3-amino)-benzofurans, benzothiophenes and indoles as edg receptor agonists IDO1, IDO2, EDNRA MAOB 1511/4885MAOA 1597/4885GSTP1 3601/4885

“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.