SCHEMBL5772368

SCHEMBL5772368

C=CC(OC(C)=O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
GALR3 O60755 1/20 0.30
MAPT P10636 1/20 0.30
BLM P54132 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
SCHEMBL8165016 0.83 TSHR (0.42) TSHRALDH1A1CHRM2CHRM4CHRM1
SCHEMBL14724288 0.81 TSHR (0.40) TSHRALDH1A1CHRM2CHRM4CHRM1
SCHEMBL169726 0.80 ALDH1A1 (0.39) TSHRALDH1A1
SCHEMBL1489551 0.80 LMNA (0.32) ALDH1A1LMNA
SCHEMBL1489552 0.80 LMNA (0.32) ALDH1A1LMNA
SCHEMBL7591554 0.77 ALDH1A1 (0.38) TSHRALDH1A1SMN1; SMN2
SCHEMBL931342 0.76 TSHR (0.35) TSHRALDH1A1CYP3A4SMN1; SMN2LMNA
SCHEMBL1489359 0.76 TSHR (0.33) TSHRALDH1A1CHRM2CHRM4CHRM1
SCHEMBL27331593 0.76 TSHR (0.36) TSHR
SCHEMBL19339595 0.76 RAB9A (0.30) LMNA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210289794-A1 COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-23 US disclosed
EP-1655279-B1 Process for the preparation of vinyl acetate CELANESE SALES GERMANY GMBH (DE) 2017-02-22 EP disclosed
CN-103237784-B For the production of the method for vinyl acetate composition with low impurity content CELANESE INTERNATIONAL CORP. (US) 2015-11-25 CN disclosed
US-7135591-B2 Adhesive based on biodegradable acrylates LIJMTECHNIEK B.V. (NL) 2006-11-14 US disclosed
EP-1655279-A1 Process for the preparation of vinyl acetate Celanese Chemicals Europe GmbH (DE) 2006-05-10 EP disclosed
US-20050085608-A1 Adhesive based on biodegradable acrylates LIJMTECHNIEK B.V. (NL) 2005-04-21 US disclosed
EP-0898494-B1 A TWO STEP GOLD ADDITION METHOD FOR PREPARING A VINYL ACETATE CATALYST HOECHST CELANESE CORP (US) 2000-06-14 EP disclosed
EP-0891224-B1 A METHOD OF PREPARING A VINYL ACETATE CATALYST EMPLOYING AN ALKALI METAL BORATE HOECHST CELANESE CORP (US) 1999-11-24 EP disclosed
EP-0898494-A1 A TWO STEP GOLD ADDITION METHOD FOR PREPARING A VINYL ACETATE CATALYST Hoechst Celanese Corporation (US) 1999-03-03 EP disclosed
EP-0891224-A1 A METHOD OF PREPARING A VINYL ACETATE CATALYST EMPLOYING AN ALKALI METAL BORATE Hoechst Celanese Corporation (US) 1999-01-20 EP disclosed
US-5691267-A Two step gold addition method for preparing a vinyl acetate catalyst HOECHST CELANESE CORPORATION (US) 1997-11-25 US disclosed
WO-1997038790-A1 A TWO STEP GOLD ADDITION METHOD FOR PREPARING A VINYL ACETATE CATALYST HOECHST CELANESE CORPORATION (US) 1997-10-23 WO disclosed
WO-1997036678-A1 A METHOD OF PREPARING A VINYL ACETATE CATALYST EMPLOYING AN ALKALI METAL BORATE HOECHST CELANESE CORPORATION (US) 1997-10-09 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 (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-20050085608-A1 Adhesive based on biodegradable acrylates CAD, PTK2, ICAM1 TSHR 4377/4885ALDH1A1 187/4885CYP3A4 3061/4885

“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.