SCHEMBL1736191

SCHEMBL1736191

CCOC(=O)CC1(C)OO1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
ALDH1A1 P00352 5/20 0.44
TRPA1 O75762 1/20 0.44
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
TSHR P16473 1/20 0.39
CYP1A2 P05177 1/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 3/20 0.37
SOAT1 P35610 1/20 0.37
ELANE P08246 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL7563295 0.90 KMT2A (0.45) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL29485 0.89 GAA (0.42) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL180341 0.81 CTDSP1 (0.47) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28459596 0.78 CTDSP1 (0.38) GAAMGAMSIMGAM2KMT2A
SCHEMBL10594774 0.78 CTDSP1 (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL13282718 0.75 CTDSP1 (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11134667 0.74 KMT2A (0.45) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28408748 0.74 CTDSP1 (0.65) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL29655311 0.74 CTDSP1 (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11815671 0.74 ALDH1A1 (0.47) GAAALDH1A1KMT2AL3MBTL1CTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507564-B2 Method for selecting perfume ingredient, method for formulating fragrance, and preference-enhancing agent SHISEIDO CO., LTD. (JP) 2013-08-13 US disclosed
EP-2143782-B1 Use of Allyl Caproate SHISEIDO CO LTD (JP) 2011-11-23 EP disclosed
US-20100168253-A1 Method For Selecting Perfume Ingredient, Method For Formulating Fragrance, And Preference-Enhancing Agent SHISEIDO CO., LTD. (JP) 2010-07-01 US disclosed
EP-2143782-A1 Use of Allyl Caproate Shiseido Co., Ltd. (JP) 2010-01-13 EP disclosed
EP-1921130-A1 METHOD OF SELECTING PERFUME INGREDIENT, METHOD OF PERFUME FORMULATION, AND TASTINESS IMPROVER Shiseido Company, Limited (JP) 2008-05-14 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-20100168253-A1 Method For Selecting Perfume Ingredient, Method For Formulating Fragrance, And Preference-Enhancing Agent HTR6, FUT6, TRPM6 GAA 2657/4885MGAM 902/4885SI 2151/4885

“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.