SCHEMBL1778576

SCHEMBL1778576

CCN(CC)OC(c1ccccc1)(c1ccccc1)c1ccccc1N(CC)CC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
CNR2 P34972 1/20 0.33
NR1H2 P55055 3/20 0.32
NR1H3 Q13133 3/20 0.32
HSD11B1 P28845 1/20 0.32
KIF11 P52732 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
NOX1 Q9Y5S8 1/20 0.30
MAPT P10636 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
LMNA P02545 1/20 0.30
KCNN4 O15554 1/20 0.30

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
SCHEMBL3487783 0.81 KIF11 (0.41) TSHRKIF11MEN1KMT2AKDM4E
SCHEMBL27669800 0.73 CRHBP (0.46) TSHRNR1H2NR1H3MEN1KMT2A
SCHEMBL3190702 0.72 KCNN4 (0.39) TSHRCNR2NR1H2NR1H3MEN1
SCHEMBL22928368 0.71 KIF11 (0.46) KIF11NPC1RAB9ALMNA
SCHEMBL9564928 0.70 ALDH1A1 (0.41) TSHRCNR2KIF11MEN1KMT2A
SCHEMBL9821084 0.69 ALDH1A1 (0.44) TSHRHSD11B1MEN1KMT2AKDM4E
SCHEMBL10588072 0.68 MEN1 (0.33) TSHRCNR2NR1H2NR1H3MEN1
SCHEMBL6299189 0.66 TSHR (0.46) TSHRCNR2MEN1KMT2ANPC1
SCHEMBL31718395 0.66 TSHR (0.46) TSHRCNR2MEN1KMT2ANPC1
SCHEMBL8958015 0.66 MEN1 (0.39) TSHRHSD11B1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11110121-B2 Compositions comprising hydrogen peroxide or hydrogen peroxide donor substances CLARIANT INTERNATIONAL LTD. (CH) 2021-09-07 US disclosed
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-20070031361-A1 Cosmetic, pharmaceutical and dermatological preparations comprising homopolymer and/or copolymer waxes of the monomers ethylene and/or propylene HERRMANN HANS-FRIEDRICH 2007-02-08 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
US-20060104940-A1 Cosmetic, pharmaceutical and dermatological preparations comprising copolymer waxes CLARIANT GMBH 2006-05-18 US disclosed
EP-1633818-A2 ANTIMICROBIAL PIGMENTS MERCK PATENT GmbH (DE) 2006-03-15 EP disclosed
US-20050276763-A1 Emulsion concentrate containing water-soluble and oil-soluble polymers BEIERSDORF AG 2005-12-15 US disclosed
US-20050238679-A1 Taurine-containing preparations for improving the skin barrier BEIERSDORF AG (DE) 2005-10-27 US disclosed
US-20050201969-A1 Stable cosmetics BEIERSDORF AG 2005-09-15 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-20070031361-A1 Cosmetic, pharmaceutical and dermatological preparations comprising homopolymer and/or copolymer waxes of the monomers ethylene and/or propylene PMS2, MSH2, PGM2 TSHR 2791/4885CNR2 1861/4885NR1H2 2923/4885
US-20050074471-A1 Self-foaming or foamy preparations comprising particulate hydrophobic and/or hydrophobized and/or oil-absorbent solid substances HBB, HBG1, FFAR1 TSHR 2846/4885CNR2 189/4885NR1H2 107/4885
US-20060104940-A1 Cosmetic, pharmaceutical and dermatological preparations comprising copolymer waxes CUTA, ACMSD, DEGS1 TSHR 3118/4885CNR2 451/4885NR1H2 297/4885
US-20140308224-A1 COSMETIC, DERMATOLOGICAL OR PHARMACEUTICAL COMPOSITIONS COMPRISING ISOSORBIDE DIESTERS AND UV FILTERS POLR1C, CUTA, DEGS1 TSHR 2901/4885CNR2 604/4885NR1H2 96/4885
US-20050276763-A1 Emulsion concentrate containing water-soluble and oil-soluble polymers PCNA, CUTA, PCLAF TSHR 4134/4885CNR2 937/4885NR1H2 486/4885
US-11110121-B2 Compositions comprising hydrogen peroxide or hydrogen peroxide donor substances GPX4, LPO, CAT TSHR 2479/4885CNR2 4301/4885NR1H2 1882/4885
US-20050238679-A1 Taurine-containing preparations for improving the skin barrier CETP, CUTA, SPTLC3 TSHR 4020/4885CNR2 2617/4885NR1H2 72/4885
US-20140348763-A1 COMPOSITIONS CONTAINING ISOSORBIDE MONOESTER AND ALCOHOLS THAT CONTAIN AT LEAST ONE AROMATIC GROUP ADH5, ADH1A, ADH1C TSHR 3415/4885CNR2 2976/4885NR1H2 67/4885
US-20160000080-A1 COMPOSITIONS CONTAINING ISOSORBIDE MONOESTER AND ALIPHATIC VICINAL DIOLS HSD17B12, DHCR7, ERG28 TSHR 4673/4885CNR2 1067/4885NR1H2 44/4885
US-20060246149-A1 Antimicrobial pigments LPO, TYR, CUTA TSHR 1779/4885CNR2 4833/4885NR1H2 4416/4885
US-10406135-B2 Compositions containing isosorbide monoester and alcohols that contain at least one aromatic group ADH5, ADH1A, ADH1C TSHR 3415/4885CNR2 2976/4885NR1H2 67/4885
US-20140343171-A1 COMPOSITIONS COMPRISING ISOSORBIDE MONOESTER AND N-HYDROXYPYRIDONES HSD17B3, HSD3B1, HSD3B2 TSHR 3430/4885CNR2 1129/4885NR1H2 99/4885
US-20140369943-A1 COMPOSITIONS COMPRISING ISOSORBIDE MONOESTERS AND HALOGENATED ANTIMICROBIAL ACTIVE COMPOUNDS FASN, HSD17B12, ELOVL3 TSHR 2333/4885CNR2 3872/4885NR1H2 39/4885
US-20060210500-A1 Formulations TYR, SUCLG1, CYB5R3 TSHR 3474/4885CNR2 4350/4885NR1H2 3428/4885
US-20140329870-A1 COMPOSITIONS COMPRISING ISOSORBIDE MONOESTERS AND ISOTHIAZOLINONES HSD17B12, COASY, UGT2B17 TSHR 2916/4885CNR2 2867/4885NR1H2 111/4885

“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.