SCHEMBL2526786

SCHEMBL2526786

CC(C)(C)COCCCC[O]

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GBA2 Q9HCG7 2/20 0.37
CYP2C19 P33261 1/20 0.33
CES1 P23141 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
SCHEMBL2528242 0.98 GBA2 (0.39) GBA2CYP2C19CES1
SCHEMBL2529656 0.98 GBA2 (0.39) GBA2CYP2C19CES1
SCHEMBL2531069 0.92 CYP2C19 (0.35) GBA2CYP2C19
SCHEMBL25939791 0.87 GBA2 (0.42) GBA2CYP2C19CES1
SCHEMBL2525969 0.81
SCHEMBL1244600 0.81 GBA2 (0.38) GBA2CYP2C19CES1
SCHEMBL26016323 0.78 GBA2 (0.37) GBA2CYP2C19CES1
SCHEMBL26016322 0.78 GBA2 (0.37) GBA2CYP2C19CES1
SCHEMBL26016324 0.78 GBA2 (0.37) GBA2CYP2C19CES1
SCHEMBL5961078 0.78 HRH3 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461135-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US claimed
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US claimed
US-9670232-B2 Molecular precursor compounds for zinc-group 13 mixed oxide materials TRANSTRON SOLUTIONS LLC (US) 2017-06-06 US disclosed
EP-3102541-A1 MOLECULAR PRECURSOR COMPOUNDS FOR INDIUM GALLIUM ZINC OXIDE MATERIALS TRANSTRON SOLUTIONS LLC (US) 2016-12-14 EP disclosed
US-9455142-B2 Molecular precursor compounds for ABIGZO zinc-group 13 mixed oxide materials TRANSTRON SOLUTIONS LLC (US) 2016-09-27 US disclosed
US-9404002-B2 Molecular precursor compounds for indium gallium zinc oxide materials TRANSTRON SOLUTIONS LLC (US) 2016-08-02 US disclosed
US-20150218190-A1 MOLECULAR PRECURSOR COMPOUNDS FOR ZINC-GROUP 13 MIXED OXIDE MATERIALS PRECURSOR ENERGETICS, INC. (US) 2015-08-06 US disclosed
US-20150221506-A1 MOLECULAR PRECURSOR COMPOUNDS FOR ABIGZO ZINC-GROUP 13 MIXED OXIDE MATERIALS PRECURSOR ENERGETICS, INC. (US) 2015-08-06 US disclosed
US-20150221772-A1 MOLECULAR PRECURSOR COMPOUNDS FOR ABIZO ZINC-GROUP 13 MIXED OXIDE MATERIALS PRECURSOR ENERGETICS, INC. (US) 2015-08-06 US disclosed
US-20150218400-A1 MOLECULAR PRECURSOR COMPOUNDS FOR INDIUM GALLIUM ZINC OXIDE MATERIALS PRECURSOR ENERGETICS, INC. (US) 2015-08-06 US disclosed
US-20150221771-A1 MOLECULAR PRECURSOR COMPOUNDS FOR ABGZO ZINC-GROUP 13 MIXED OXIDE MATERIALS PRECURSOR ENERGETICS, INC. (US) 2015-08-06 US disclosed
WO-2005082459-A2 METHOD OF DECREASING BLOOD CELLS JAPAN TOBACCO INC. (JP) 2005-09-09 WO disclosed
US-20050187221-A1 Method of treating ischemia reperfusion injury JAPAN TOBACCO INC. (JP) 2005-08-25 US disclosed
EP-1304322-A2 Carboxylic acid compound and use thereof Japan Tobacco Inc. (JP) 2003-04-23 EP disclosed
US-6420561-B1 Amide compounds and use thereof JAPAN TOBACCO INC. (JP) 2002-07-16 US disclosed
US-6174887-B1 Amide compounds and use of the same JAPAN TOBACCO INC. (JP) 2001-01-16 US disclosed
EP-0849256-A1 AMIDE COMPOUNDS AND USE OF THE SAME Japan Tobacco Inc. (JP) 1998-06-24 EP disclosed
EP-0649423-B1 PROCESS FOR PREPARING 1,3-DIOXOLANE DERIVATIVES SYNTEX INC (US) 1996-10-09 EP disclosed
US-5274108-A Process for preparing 1,3-dioxolane derivatives SYNTEX (U.S.A.) INC. (US) 1993-12-28 US disclosed
US-5208331-A Process for preparing 1,3-dioxolane derivatives SYNTEX (U.S.A.) INC. (US) 1993-05-04 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 (6 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-20150218400-A1 MOLECULAR PRECURSOR COMPOUNDS FOR INDIUM GALLIUM ZINC OXIDE MATERIALS IKZF3, ZFR, IGSF11 GBA2 3442/4885CYP2C19 1188/4885CES1 4760/4885
US-20150221506-A1 MOLECULAR PRECURSOR COMPOUNDS FOR ABIGZO ZINC-GROUP 13 MIXED OXIDE MATERIALS AOC3, ZRANB2, AOC2 GBA2 4326/4885CYP2C19 90/4885CES1 4684/4885
US-20150221772-A1 MOLECULAR PRECURSOR COMPOUNDS FOR ABIZO ZINC-GROUP 13 MIXED OXIDE MATERIALS IKZF3, ZRANB2, ZFR GBA2 4279/4885CYP2C19 242/4885CES1 4834/4885
US-20050187221-A1 Method of treating ischemia reperfusion injury TNF, IL1B, TNNI3 GBA2 3362/4885CYP2C19 4097/4885CES1 2088/4885
US-20150221771-A1 MOLECULAR PRECURSOR COMPOUNDS FOR ABGZO ZINC-GROUP 13 MIXED OXIDE MATERIALS ZFR, IKZF3, SLC39A11 GBA2 2400/4885CYP2C19 176/4885CES1 4811/4885
US-20150218190-A1 MOLECULAR PRECURSOR COMPOUNDS FOR ZINC-GROUP 13 MIXED OXIDE MATERIALS ZFR, ZRANB2, IKZF3 GBA2 3326/4885CYP2C19 77/4885CES1 4644/4885

“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.