SCHEMBL5192045

SCHEMBL5192045

CCCCCCCCOC(C)OC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.46
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.43
NAAA Q02083 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PRKCA P17252 2/20 0.41
DNM1 Q05193 1/20 0.41
FAAH O00519 1/20 0.40
EPHX1 P07099 1/20 0.40
LPAR1 Q92633 1/20 0.39
LPAR3 Q9UBY5 1/20 0.39

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
SCHEMBL8103942 1.00 CES2 (0.46) CES2LMNATSHRNAAAALDH1A1
SCHEMBL133243 0.92 ALDH1A1 (0.50) CES2LMNATSHRALDH1A1PRKCA
SCHEMBL3389849 0.92 TSHR (0.44) CES2LMNATSHRALDH1A1PRKCA
SCHEMBL3393592 0.92 TSHR (0.44) CES2LMNATSHRALDH1A1PRKCA
SCHEMBL3393797 0.92 TSHR (0.44) CES2LMNATSHRALDH1A1PRKCA
SCHEMBL3389814 0.92 TSHR (0.44) CES2LMNATSHRALDH1A1PRKCA
SCHEMBL3391088 0.92 TSHR (0.44) CES2LMNATSHRALDH1A1PRKCA
SCHEMBL3391092 0.92 TSHR (0.44) CES2LMNATSHRALDH1A1PRKCA
SCHEMBL28961008 0.90 ALDH1A1 (0.48) CES2LMNATSHRALDH1A1PRKCA
SCHEMBL3390286 0.90 TSHR (0.46) CES2LMNATSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1288186-B1 Preparation process of vinyl ether compounds DAICEL CHEM (JP) 2007-09-19 EP disclosed
US-7271297-B2 Process for producing vinyl ether compounds DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-09-18 US disclosed
EP-1826196-A2 Vinyl ether compounds Daicel Chemical Industries, Ltd. (JP) 2007-08-29 EP disclosed
US-20060205957-A1 Process for producing vinyl ether compounds ISHII YASUTAKA 2006-09-14 US disclosed
US-7074970-B2 Process for producing vinyl ether compounds DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2006-07-11 US disclosed
US-20030083529-A1 Process for producing vinyl ether compounds DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-05-01 US disclosed
EP-1288186-A2 Vinyl ether compounds and preparation process thereof Daicel Chemical Industries, Ltd. (JP) 2003-03-05 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 (2 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-20060205957-A1 Process for producing vinyl ether compounds ETV6, CYP3A4, SUV39H2 CES2 835/4885LMNA 3862/4885TSHR 1315/4885
US-20030083529-A1 Process for producing vinyl ether compounds SRD5A2, RPS4X, RUVBL2 CES2 773/4885LMNA 3433/4885TSHR 2708/4885

“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.