SCHEMBL942219

SCHEMBL942219

COc1cc(/C=C/C(=O)O)c(C(CC(C)C)[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)c(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
CA6 P23280 2/20 0.46
CA5A P35218 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
KDM4E B2RXH2 11/20 0.43
ALDH1A1 P00352 9/20 0.42
HPGD P15428 5/20 0.42
HSD17B10 Q99714 2/20 0.42
HTR1A P08908 1/20 0.42
HTR2C P28335 1/20 0.42
HTT P42858 2/20 0.41
CYP2C9 P11712 1/20 0.36
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34

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
SCHEMBL25328798 0.75 KDM4E (0.41) CA12CA1CA2CA4CA6
SCHEMBL646614 0.73 KDM4E (0.43) CA12CA1CA2CA4CA6
SCHEMBL646616 0.73 KDM4E (0.43) CA12CA1CA2CA4CA6
SCHEMBL647361 0.72 KDM4E (0.40) CA12CA1CA2CA4CA6
SCHEMBL647363 0.72 KDM4E (0.40) CA12CA1CA2CA4CA6
SCHEMBL2290699 0.71 KDM4E (0.51) CA12CA1CA2CA4CA6
SCHEMBL21817004 0.71 KDM4E (0.48) CA12CA1CA2CA4CA6
SCHEMBL21817001 0.71 KDM4E (0.48) CA12CA1CA2CA4CA6
SCHEMBL3789794 0.70 KDM4E (0.65) CA12CA1CA2CA4CA6
SCHEMBL3789790 0.70 KDM4E (0.65) CA12CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100047185-A1 ACTVIE SUBSTANCE COMBINATION ISDIN S.A. (ES) 2010-02-25 US claimed
WO-2008083975-A1 LIGHT-STABILIZED COMPOSITION ISDIN S.A. (ES) 2008-07-17 WO claimed
WO-2008083974-A1 ACTIVE SUBSTANCE COMBINATION ISDIN S.A. (ES) 2008-07-17 WO claimed
WO-2008067928-A1 UV ABSORBING COMPOSITIONS CONTAINING A PYRROLYLTRIAZINE ISDIN S.A. (ES) 2008-06-12 WO claimed
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-9834635-B2 Polymers based on arcrylic, methacrylic or ethacrylic amidoalkyl sulfonic acid or salts and carboxyalky acrylate, methacrylate or ethacrylate or oligomers of said carboxy compounds CLARIANT INTERNATIONAL LTD. (CH) 2017-12-05 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
WO-2008083975-A1 LIGHT-STABILIZED COMPOSITION ISDIN S.A. (ES) 2008-07-17 WO disclosed
WO-2008083974-A1 ACTIVE SUBSTANCE COMBINATION ISDIN S.A. (ES) 2008-07-17 WO disclosed
WO-2008067928-A1 UV ABSORBING COMPOSITIONS CONTAINING A PYRROLYLTRIAZINE ISDIN S.A. (ES) 2008-06-12 WO 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 (7 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-20140348763-A1 COMPOSITIONS CONTAINING ISOSORBIDE MONOESTER AND ALCOHOLS THAT CONTAIN AT LEAST ONE AROMATIC GROUP ADH5, ADH1A, ADH1C CA12 4313/4885CA1 4579/4885CA2 4551/4885
US-20160000080-A1 COMPOSITIONS CONTAINING ISOSORBIDE MONOESTER AND ALIPHATIC VICINAL DIOLS HSD17B12, DHCR7, ERG28 CA12 2862/4885CA1 2903/4885CA2 3737/4885
US-20150342856-A1 Cationic Comb Copolymers, Preparation Thereof And Use Thereof In Cosmetic, Pharmaceutical And Dermatological Formulations C9, PARN, SGMS1 CA12 1900/4885CA1 2968/4885CA2 949/4885
US-20100047185-A1 ACTVIE SUBSTANCE COMBINATION UGT2B17, TACR2, UGT1A1 CA12 1110/4885CA1 2294/4885CA2 3587/4885
US-10406135-B2 Compositions containing isosorbide monoester and alcohols that contain at least one aromatic group ADH5, ADH1A, ADH1C CA12 4313/4885CA1 4579/4885CA2 4551/4885
US-20140369943-A1 COMPOSITIONS COMPRISING ISOSORBIDE MONOESTERS AND HALOGENATED ANTIMICROBIAL ACTIVE COMPOUNDS FASN, HSD17B12, ELOVL3 CA12 4364/4885CA1 4658/4885CA2 4630/4885
US-20080009429-A1 Cosmetic or dermatological cleansing compositions comprising secondary alkanesulfonates SMURF1, SMURF2, CUTA CA12 3106/4885CA1 4299/4885CA2 2749/4885

“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.