SCHEMBL942222

SCHEMBL942222

COc1c(C=CC(=O)O)c([Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)c(CCC(C)C)c(OC)c1OC

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
HTT P42858 1/20 0.36
SMPD1 P17405 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HTR1A P08908 1/20 0.32
HPGD P15428 1/20 0.32
HTR2C P28335 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 1/20 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
SCHEMBL3986446 0.70 LMNA (0.33)
SCHEMBL19177415 0.70 LMNA (0.33)
SCHEMBL2290699 0.69 KDM4E (0.51) KDM4EHTTALDH1A1HTR1AHPGD
SCHEMBL646616 0.67 KDM4E (0.43) KDM4EHTTALDH1A1HTR1AHPGD
SCHEMBL646614 0.67 KDM4E (0.43) KDM4EHTTALDH1A1HTR1AHPGD
SCHEMBL23706404 0.66 ALDH1A1 (0.42) KDM4EHTTALDH1A1HTR1AHPGD
SCHEMBL23706403 0.66 ALDH1A1 (0.42) KDM4EHTTALDH1A1HTR1AHPGD
SCHEMBL28238937 0.66 CA1 (0.45) KDM4EHTTSMPD1ALDH1A1HTR1A
SCHEMBL2290706 0.64 ALOX5 (0.43) KDM4EHTTALDH1A1HTR1AHPGD
SCHEMBL29046241 0.64 KDM4E (0.36) KDM4EHTTALDH1A1HTR1AHPGD

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 27 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-9526687-B2 Polymers based on sulfonic acids, amides and special cross-linking agents CLARIANT INTERNATIONAL LTD. (CH) 2016-12-27 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-20150342856-A1 Cationic Comb Copolymers, Preparation Thereof And Use Thereof In Cosmetic, Pharmaceutical And Dermatological Formulations CLARIANT FINANCE (BVI) LIMITED (VG) 2015-12-03 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-20100278760-A1 Cosmetics SHISEIDO COMPANY,LTD. (JP) 2010-11-04 US disclosed
US-20100260696-A1 Aqueous Compositions Containing Alkoxylated Phosphoric Acid Triesters CLARIANT FINANCE (BVI) LIMITED (VG) 2010-10-14 US disclosed
WO-2009149879-A1 COSMETIC OR PHARMACEUTICAL COMPOSITIONS COMPRISING MODIFIED POLYSILOXANES WITH AT LEAST ONE CARBAMATE GROUP CLARIANT INTERNATIONAL LTD (CH) 2009-12-17 WO disclosed
EP-1352638-B1 COSMETICS FOR ALLEVIATING SKIN IRRITATION SHISEIDO CO LTD (JP) 2009-05-20 EP disclosed
EP-1972330-A2 Cosmetic or pharmaceutical compositions comprising modified polysiloxanes with at least one carbamate group CLARIANT INTERNATIONAL LTD. (CH) 2008-09-24 EP disclosed
US-20080009429-A1 Cosmetic or dermatological cleansing compositions comprising secondary alkanesulfonates CLARIANT INTERNATIONAL LTD. 2008-01-10 US disclosed
US-20070116654-A1 Cosmetics SHISEIDO CO., LTD. 2007-05-24 US disclosed
US-7169379-B2 Cosmetics SHISEIDO CO., LTD. (JP) 2007-01-30 US disclosed
EP-1352638-A1 COSMETICS SHISEIDO COMPANY, LTD. (JP) 2003-10-15 EP disclosed
US-20030185772-A1 Cosmetics SHISEIDO COMPANY, LTD. (JP) 2003-10-02 US 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 (10 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-20140308224-A1 COSMETIC, DERMATOLOGICAL OR PHARMACEUTICAL COMPOSITIONS COMPRISING ISOSORBIDE DIESTERS AND UV FILTERS POLR1C, CUTA, DEGS1 KDM4E 3814/4885HTT 2580/4885SMPD1 385/4885
US-20100260696-A1 Aqueous Compositions Containing Alkoxylated Phosphoric Acid Triesters HAO2, HAO1, ALOX15B KDM4E 3889/4885HTT 3687/4885SMPD1 1103/4885
US-20140348763-A1 COMPOSITIONS CONTAINING ISOSORBIDE MONOESTER AND ALCOHOLS THAT CONTAIN AT LEAST ONE AROMATIC GROUP ADH5, ADH1A, ADH1C KDM4E 3610/4885HTT 4773/4885SMPD1 1002/4885
US-20160000080-A1 COMPOSITIONS CONTAINING ISOSORBIDE MONOESTER AND ALIPHATIC VICINAL DIOLS HSD17B12, DHCR7, ERG28 KDM4E 4618/4885HTT 4883/4885SMPD1 495/4885
US-20150342856-A1 Cationic Comb Copolymers, Preparation Thereof And Use Thereof In Cosmetic, Pharmaceutical And Dermatological Formulations C9, PARN, SGMS1 KDM4E 2154/4885HTT 2764/4885SMPD1 627/4885
US-10406135-B2 Compositions containing isosorbide monoester and alcohols that contain at least one aromatic group ADH5, ADH1A, ADH1C KDM4E 3610/4885HTT 4773/4885SMPD1 1002/4885
US-20140343171-A1 COMPOSITIONS COMPRISING ISOSORBIDE MONOESTER AND N-HYDROXYPYRIDONES HSD17B3, HSD3B1, HSD3B2 KDM4E 3919/4885HTT 1356/4885SMPD1 1639/4885
US-20140369943-A1 COMPOSITIONS COMPRISING ISOSORBIDE MONOESTERS AND HALOGENATED ANTIMICROBIAL ACTIVE COMPOUNDS FASN, HSD17B12, ELOVL3 KDM4E 4637/4885HTT 4685/4885SMPD1 1120/4885
US-20080009429-A1 Cosmetic or dermatological cleansing compositions comprising secondary alkanesulfonates SMURF1, SMURF2, CUTA KDM4E 2230/4885HTT 917/4885SMPD1 32/4885
US-20140329870-A1 COMPOSITIONS COMPRISING ISOSORBIDE MONOESTERS AND ISOTHIAZOLINONES HSD17B12, COASY, UGT2B17 KDM4E 4368/4885HTT 4827/4885SMPD1 1701/4885

“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.