SCHEMBL1778574

SCHEMBL1778574

CCN(CC)c1ccccc1C(c1ccccc1O)c1ccccc1N(CC)CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
POLB P06746 2/20 0.37
ALDH1A1 P00352 4/20 0.34
CYP3A4 P08684 2/20 0.34
MAPT P10636 7/20 0.34
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
LMNA P02545 3/20 0.33
GAA P10253 2/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRB3 P13945 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
HPGD P15428 2/20 0.32

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
SCHEMBL3487781 0.90 TSHR (0.43) TSHRGABRA1GABRB2POLBALDH1A1
SCHEMBL30125051 0.89 TSHR (0.38) TSHRALDH1A1CYP3A4MAPTMEN1
SCHEMBL1552804 0.89 TSHR (0.38) TSHRALDH1A1CYP3A4MAPTMEN1
SCHEMBL9724609 0.80 ESR1 (0.39) TSHRCYP3A4MAPTLMNAGAA
SCHEMBL10333062 0.78 ALDH1A1 (0.42) TSHRPOLBALDH1A1CYP3A4MAPT
SCHEMBL387883 0.78 ALDH1A1 (0.42) TSHRPOLBALDH1A1CYP3A4MAPT
SCHEMBL6681612 0.78 LMNA (0.41) TSHRMAPTMEN1KMT2ALMNA
SCHEMBL27980950 0.76 TSHR (0.46) TSHRGABRA1GABRB2POLBCYP3A4
SCHEMBL29407501 0.76 GABRA1 (0.62) TSHRGABRA1GABRB2POLBALDH1A1
SCHEMBL78917 0.76 GABRA1 (0.62) TSHRGABRA1GABRB2POLBALDH1A1

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10406135-B2 Compositions containing isosorbide monoester and alcohols that contain at least one aromatic group CLARIANT INTERNATIONAL LTD. (CH) 2019-09-10 US disclosed
US-9295626-B2 Compositions comprising isosorbide monoester and N-hydroxypyridones CLARIANT INTERNATIONAL LTD. (CH) 2016-03-29 US disclosed
US-20160000080-A1 COMPOSITIONS CONTAINING ISOSORBIDE MONOESTER AND ALIPHATIC VICINAL DIOLS CLARIANT INTERNATIONAL LTD. (CH) 2016-01-07 US disclosed
US-8962796-B2 Modified variant Bowman Birk protease inhibitors DANISCO US INC. (US) 2015-02-24 US disclosed
US-20140369943-A1 COMPOSITIONS COMPRISING ISOSORBIDE MONOESTERS AND HALOGENATED ANTIMICROBIAL ACTIVE COMPOUNDS CLARIANT INTERNATIONAL LTD. (CH) 2014-12-18 US disclosed
US-20140348763-A1 COMPOSITIONS CONTAINING ISOSORBIDE MONOESTER AND ALCOHOLS THAT CONTAIN AT LEAST ONE AROMATIC GROUP CLARIANT INTERNATIONAL LTD. (CH) 2014-11-27 US disclosed
US-20140343171-A1 COMPOSITIONS COMPRISING ISOSORBIDE MONOESTER AND N-HYDROXYPYRIDONES CLARIANT INTERNATIONAL LTD. (CH) 2014-11-20 US disclosed
US-20140329870-A1 COMPOSITIONS COMPRISING ISOSORBIDE MONOESTERS AND ISOTHIAZOLINONES CLARIANT INTERNATIONAL LTD. (CH) 2014-11-06 US disclosed
US-20140308224-A1 COSMETIC, DERMATOLOGICAL OR PHARMACEUTICAL COMPOSITIONS COMPRISING ISOSORBIDE DIESTERS AND UV FILTERS CLARIANT INTERNATIONAL LTD. (CH) 2014-10-16 US disclosed
US-8765103-B2 Pearlescent pigments containing cosmetic compositions GLASSFLAKE LIMITED (GB) 2014-07-01 US disclosed
US-20080038213-A1 Uv Filters MERCK PATENT GMBH (DE) 2008-02-14 US disclosed
US-20070196290-A1 Uv filters in powder form MERCK PATENT GMBH (DE) 2007-08-23 US disclosed
US-20070191305-A1 Chromone complexes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2007-08-16 US disclosed
US-20070155695-A1 Flavonoid complexes with cyclodextrins EUROPEAN BRAND PARTICIPATIONS SA (LU) 2007-07-05 US disclosed
US-20060246149-A1 Antimicrobial pigments MERCK PATENT GMBH (DE) 2006-11-02 US disclosed
US-20060210500-A1 Formulations MERCK PATENT GMBH (DE) 2006-09-21 US disclosed
EP-1633818-A2 ANTIMICROBIAL PIGMENTS MERCK PATENT GmbH (DE) 2006-03-15 EP disclosed
US-20050238679-A1 Taurine-containing preparations for improving the skin barrier BEIERSDORF AG (DE) 2005-10-27 US disclosed
US-20050074471-A1 Self-foaming or foamy preparations comprising particulate hydrophobic and/or hydrophobized and/or oil-absorbent solid substances BEIERSDORF AG (DE) 2005-04-07 US disclosed
WO-2004092283-A2 ANTIMICROBIAL PIGMENTS MERCK PATENT GMBH (DE) 2004-10-28 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 (15 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-20050074471-A1 Self-foaming or foamy preparations comprising particulate hydrophobic and/or hydrophobized and/or oil-absorbent solid substances HBB, HBG1, FFAR1 TSHR 2846/4885GABRA1 1053/4885GABRB2 991/4885
US-20140308224-A1 COSMETIC, DERMATOLOGICAL OR PHARMACEUTICAL COMPOSITIONS COMPRISING ISOSORBIDE DIESTERS AND UV FILTERS POLR1C, CUTA, DEGS1 TSHR 2901/4885GABRA1 209/4885GABRB2 69/4885
US-20050238679-A1 Taurine-containing preparations for improving the skin barrier CETP, CUTA, SPTLC3 TSHR 4020/4885GABRA1 4715/4885GABRB2 4777/4885
US-20140348763-A1 COMPOSITIONS CONTAINING ISOSORBIDE MONOESTER AND ALCOHOLS THAT CONTAIN AT LEAST ONE AROMATIC GROUP ADH5, ADH1A, ADH1C TSHR 3415/4885GABRA1 196/4885GABRB2 76/4885
US-20160000080-A1 COMPOSITIONS CONTAINING ISOSORBIDE MONOESTER AND ALIPHATIC VICINAL DIOLS HSD17B12, DHCR7, ERG28 TSHR 4673/4885GABRA1 391/4885GABRB2 119/4885
US-20060246149-A1 Antimicrobial pigments LPO, TYR, CUTA TSHR 1779/4885GABRA1 2841/4885GABRB2 4052/4885
US-20070155695-A1 Flavonoid complexes with cyclodextrins TYR, DPM1, CYP2F1 TSHR 4686/4885GABRA1 4395/4885GABRB2 3766/4885
US-10406135-B2 Compositions containing isosorbide monoester and alcohols that contain at least one aromatic group ADH5, ADH1A, ADH1C TSHR 3415/4885GABRA1 196/4885GABRB2 76/4885
US-20140343171-A1 COMPOSITIONS COMPRISING ISOSORBIDE MONOESTER AND N-HYDROXYPYRIDONES HSD17B3, HSD3B1, HSD3B2 TSHR 3430/4885GABRA1 526/4885GABRB2 362/4885
US-20070191305-A1 Chromone complexes SCO2, CDYL, CYCS TSHR 2687/4885GABRA1 4647/4885GABRB2 4710/4885
US-20140369943-A1 COMPOSITIONS COMPRISING ISOSORBIDE MONOESTERS AND HALOGENATED ANTIMICROBIAL ACTIVE COMPOUNDS FASN, HSD17B12, ELOVL3 TSHR 2333/4885GABRA1 590/4885GABRB2 237/4885
US-20070196290-A1 Uv filters in powder form U2AF2, PRPF4, PRPF8 TSHR 4448/4885GABRA1 2910/4885GABRB2 2861/4885
US-20060210500-A1 Formulations TYR, SUCLG1, CYB5R3 TSHR 3474/4885GABRA1 3878/4885GABRB2 4531/4885
US-20080038213-A1 Uv Filters ERCC4, ERCC1, ERCC5 TSHR 4476/4885GABRA1 2503/4885GABRB2 2597/4885
US-20140329870-A1 COMPOSITIONS COMPRISING ISOSORBIDE MONOESTERS AND ISOTHIAZOLINONES HSD17B12, COASY, UGT2B17 TSHR 2916/4885GABRA1 390/4885GABRB2 210/4885

“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.