SCHEMBL5866441

SCHEMBL5866441

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

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
TDP1 Q9NUW8 2/20 0.36
NAAA Q02083 1/20 0.32
GLO1 Q04760 1/20 0.32
TRPA1 O75762 1/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
FFAR3 O14843 1/20 0.30
TSHR P16473 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
SCHEMBL6836609 1.00 ALDH1A1 (0.36) ALDH1A1TDP1NAAAGLO1TRPA1
SCHEMBL15255052 0.98 ALDH1A1 (0.35) ALDH1A1TDP1NAAAGLO1TRPA1
SCHEMBL4372085 0.85 ALDH1A1 (0.40) ALDH1A1TDP1TSHR
SCHEMBL5138047 0.81 TSHR (0.37) ALDH1A1LMNATSHR
SCHEMBL1902884 0.81
SCHEMBL27902952 0.81 MGAM (0.48) ALDH1A1TDP1TRPA1
SCHEMBL17181554 0.81 ALDH1A1 (0.33) ALDH1A1TDP1NAAAGLO1TRPA1
SCHEMBL8620268 0.81 MGAM (0.32) LMNA
SCHEMBL432664 0.81 ALDH1A1 (0.39) ALDH1A1TDP1TRPA1LMNAHSD17B10
SCHEMBL15101930 0.81 ALDH1A1 (0.39) ALDH1A1TDP1TRPA1LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1589932-B1 USE OF CERAMICS IN DENTAL AND ORTHODONTIC APPLICATIONS 3M INNOVATIVE PROPERTIES CO (US) 2014-08-27 EP disclosed
EP-2689768-A2 Use of ceramics in dental and orthodontic applications 3M Innovative Properties Company of 3M Center (US) 2014-01-29 EP disclosed
EP-2684553-A2 Use of ceramics in dental and orthodontic applications 3M Innovative Properties Company of 3M Center (US) 2014-01-15 EP disclosed
EP-2684555-A2 Use of ceramics in dental and orthodontic applications 3M Innovative Properties Company of 3M Center (US) 2014-01-15 EP disclosed
EP-2684556-A2 Use of ceramics in dental and orthodontic applications 3M Innovative Properties Company of 3M Center (US) 2014-01-15 EP disclosed
EP-2684554-A2 Use of ceramics in dental and orthodontic applications 3M Innovative Properties Company of 3M Center (US) 2014-01-15 EP disclosed
US-7022173-B2 Use of ceramics in dental and orthodontic applications 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-04-04 US disclosed
US-6984261-B2 Use of ceramics in dental and orthodontic applications 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-01-10 US disclosed
EP-1589932-A1 USE OF CERAMICS IN DENTAL AND ORTHODONTIC APPLICATIONS 3M Innovative Properties Company (US) 2005-11-02 EP disclosed
US-20050136176-A1 Use of ceramics in dental and orthodontic applications 3M INNOVATIVE PROPERTIES COMPANY 2005-06-23 US disclosed
US-20050109060-A1 Use of ceramics in dental and orthodontic applications 3M INNOVATIVE PROPERTIES COMPANY 2005-05-26 US disclosed
US-20050107491-A1 alumina based glass ceramic mixed with a curable epoxy resin; braces with glossy finish and maintained life-like luster upon repeated tooth brushing; wear resistance 3M INNOVATIVE PROPERTIES COMPANY 2005-05-19 US disclosed
WO-2004071471-A1 USE OF CERAMICS IN DENTAL AND ORTHODONTIC APPLICATIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-08-26 WO disclosed
US-20040152034-A1 Use of ceramics in dental and orthodontic applications 3M INNOVATIVE PROPERTIES COMPANY 2004-08-05 US disclosed
US-20040106808-A1 Processes for preparing calanolide a and intermediates thereof SAGAMI CHEMICAL RESEARCH CENTER (JP) 2004-06-03 US disclosed
EP-1352907-A1 PROCESSES FOR PREPARING CALANOLIDE A AND INTERMEDIATES THEREOF KURARAY CO., LTD. (JP) 2003-10-15 EP disclosed
US-20030032736-A1 Acrylic adhesive compositions containing ketonyl (meth)acrylate KNEAFSEY BRENDAN J (IE) 2003-02-13 US disclosed
WO-2001051576-A1 ACRYLIC ADHESIVE COMPOSITIONS CONTAINING KETONYL (METH)ACRYLATE LOCTITE (R & D) LIMITED (IE) 2001-07-19 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-20040106808-A1 Processes for preparing calanolide a and intermediates thereof CALR, CYP51A1, CYP4A11 ALDH1A1 1043/4885TDP1 4180/4885NAAA 2489/4885

“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.