SCHEMBL8664776

SCHEMBL8664776

COC(=O)OC(=O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
DGAT1 O75907 1/20 0.37
PRKCA P17252 1/20 0.34
ELANE P08246 5/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL1537712 0.85 ELANE (0.37) ALDH1A1DGAT1PRKCAELANE
SCHEMBL15226245 0.79 DGAT1 (0.34) ALDH1A1DGAT1
SCHEMBL65267 0.78 ELANE (0.40) ALDH1A1DGAT1PRKCAELANE
SCHEMBL8367894 0.76 ALDH1A1 (0.35) ALDH1A1DGAT1
SCHEMBL7563019 0.76 DGAT1 (0.36) ALDH1A1DGAT1PRKCAELANE
SCHEMBL9524075 0.76 ELANE (0.32) ELANE
SCHEMBL10017912 0.76 DGAT1 (0.41) DGAT1ELANESMN1; SMN2
Ammonia Solution, Strong SCHEMBL25421893 0.76 ELANE (0.39) ALDH1A1DGAT1PRKCAELANE
SCHEMBL7026388 0.76 ELANE (0.39) ALDH1A1DGAT1PRKCAELANE
SCHEMBL15139 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014022752-A1 MACROCYCLES AS PIM INHIBITORS AMGEN INC. (US) 2014-02-06 WO claimed
CN-103333354-A Preparation method of novel anhydrous proton conductive material used for fuel cell UNIV ZHENGZHOU 2013-10-02 CN claimed
CN-1962666-A Cepham antibiotics and its intermediate preparation method JIANGSU SIMCERE PHARMACEUTICAL (CN) 2007-05-16 CN claimed
CN-114080380-B 2- (2, 4, 5-Trimethylcyclohex-2-en-1-yl) acetaldehyde and derivatives and their use as fragrance chemicals 巴斯夫欧洲公司 2024-05-28 CN disclosed
EP-3997057-A1 2-(2,4,5-TRIMETHYLCYCLOHEX-2-EN-1-YL)ACETALDEHYDE AND DERIVATIVES AND THEIR USE AS AROMA CHEMICALS BASF SE (DE) 2022-05-18 EP disclosed
CN-114080380-A 2- (2,4, 5-trimethylcyclohex-2-en-1-yl) acetaldehyde and derivatives and their use as fragrance chemicals 巴斯夫欧洲公司 2022-02-22 CN disclosed
US-9575062-B2 Zwitterion-containing acridinium compounds SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2017-02-21 US disclosed
US-9487480-B2 Zwitterionic reagents SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2016-11-08 US disclosed
US-20160274094-A1 ZWITTERIONIC REAGENTS SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2016-09-22 US disclosed
US-9353056-B2 2016-05-31 US disclosed
US-20140295575-A1 ZWITTERION-CONTAINING ACRIDINIUM COMPOUNDS SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2014-10-02 US disclosed
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed
WO-1991017987-A1 PHENOL AND PYRIDINOL DERIVATIVES AS PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-11-28 WO disclosed
US-4797414-A Naphthothiophene derivatives and their use as respiratory enhancing agents ZYMA SA (CH) 1989-01-10 US disclosed
EP-0278911-A1 Bicyclic beta-lactam carboxylic acids CIBA-GEIGY AG (CH) 1988-08-17 EP disclosed
EP-0277917-A2 Certain adenosine 5'-carboxamide derivatives CIBA-GEIGY AG (CH) 1988-08-10 EP disclosed
EP-0233154-A2 Unsaturated amino-acids CIBA-GEIGY AG (CH) 1987-08-19 EP disclosed
EP-0193493-A2 Tricyclic thieno derivatives, their preparation and pharmaceutical compositions containing them Zyma SA (CH) 1986-09-03 EP disclosed
EP-0139917-A1 Pharmaceutical preparations, acylated hydrazine derivatives, methods for their preparation CIBA-GEIGY AG (CH) 1985-05-08 EP disclosed
EP-0033255-B1 OXIMES DERIVED FROM ERYTHROMYCIN A, THEIR PREPARATION, THEIR APPLICATION IN PHARMACEUTICALS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1984-08-29 EP 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 (1 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-20160274094-A1 ZWITTERIONIC REAGENTS BTD, HLCS, WIZ ALDH1A1 4381/4885DGAT1 4117/4885PRKCA 3145/4885

“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.