SCHEMBL1573032

SCHEMBL1573032

CCC=C(C)COC(=O)CC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.38
ALDH1A1 P00352 5/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
BLM P54132 1/20 0.34
WRN Q14191 1/20 0.34
HIF1A Q16665 1/20 0.34
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.31
GAA P10253 2/20 0.31
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
SOAT1 P35610 1/20 0.31
PAM P19021 2/20 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
SCHEMBL1573031 1.00 NAAA (0.38) NAAAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL17865596 0.85 ALDH1A1 (0.40) NAAAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL17865597 0.85 ALDH1A1 (0.40) NAAAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL1572792 0.83 ALDH1A1 (0.43) ALDH1A1CYP1A2TSHRPAM
SCHEMBL1572794 0.83 ALDH1A1 (0.43) ALDH1A1CYP1A2TSHRPAM
SCHEMBL1572599 0.82 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10TSHRGAA
SCHEMBL9752392 0.82 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10TSHRSOAT1
SCHEMBL11202334 0.82 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10TSHRGAA
SCHEMBL1572600 0.82 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10TSHRGAA
SCHEMBL9541787 0.80 ALDH1A1 (0.33) ALDH1A1LMNAHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105658391-A Method for producing ophthalmic lenses 诺华股份有限公司 2016-06-08 CN disclosed
CN-103228747-B Two-component cyanoacrylate/cationically curable adhesive systems Henkel IP & Holding GmbH (DE) 2016-05-18 CN disclosed
US-8026277-B2 Flavor composition or fragrance composition, product containing the flavor composition or fragrance composition, and novel ester compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-09-27 US disclosed
EP-2098586-B1 FLAVOR COMPOSITION OR FRAGRANCE COMPOSITION, PRODUCT CONTAINING THE FLAVOR COMPOSITION OR FRAGRANCE COMPOSITION, AND NOVEL ESTER COMPOUND TAKASAGO PERFUMERY CO LTD (JP) 2011-04-13 EP disclosed
US-20100081725-A1 FLAVOR COMPOSITION OR FRAGRANCE COMPOSITION, PRODUCT CONTAINING THE FLAVOR COMPOSITION OR FRAGRANCE COMPOSITION, AND NOVEL ESTER COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-04-01 US disclosed
EP-2098586-A1 FLAVOR COMPOSITION OR FRAGRANCE COMPOSITION, PRODUCT CONTAINING THE FLAVOR COMPOSITION OR FRAGRANCE COMPOSITION, AND NOVEL ESTER COMPOUND Takasago International Corporation (JP) 2009-09-09 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-20100081725-A1 FLAVOR COMPOSITION OR FRAGRANCE COMPOSITION, PRODUCT CONTAINING THE FLAVOR COMPOSITION OR FRAGRANCE COMPOSITION, AND NOVEL ESTER COMPOUND MEP1A, NOTUM, MEP1B NAAA 1780/4885ALDH1A1 146/4885CYP1A2 579/4885

“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.