SCHEMBL7064853

SCHEMBL7064853

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
ABCB11 O95342 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
ADRB3 P13945 1/20 0.38
HPGD P15428 1/20 0.38
CNR1 P21554 1/20 0.38
ACHE P22303 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL23336332 0.83 TDP1 (0.36) TDP1
SCHEMBL23336179 0.78 CTSK (0.36) TDP1
SCHEMBL23336334 0.77 MAPT (0.32) TDP1MAPT
SCHEMBL23336190 0.77 TDP1 (0.31) TDP1
SCHEMBL3441203 0.75 TDP1 (0.43) TDP1KMT2ALMNASMN1; SMN2HCAR2
SCHEMBL23293044 0.75 TSHR (0.42) TDP1TSHRMEN1KMT2AUSP2
SCHEMBL23581540 0.75 TSHR (0.42) TDP1TSHRMEN1KMT2AUSP2
SCHEMBL23293965 0.74 TSHR (0.42) TDP1TSHRSMN1; SMN2
SCHEMBL23336295 0.73 TDP1 (0.48) TDP1
SCHEMBL11272548 0.73 MEN1 (0.40) TDP1TSHRMEN1KMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112352037-B Isobutyrate compound having formyloxy group at alpha position, perfume composition and use as perfume 三菱瓦斯化学株式会社 2024-05-17 CN disclosed
US-20220274909-A1 METHOD FOR PRODUCING ALPHA-ACYLOXYCARBOXYLIC ACID ESTER MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2022-09-01 US disclosed
EP-4001257-A1 METHOD FOR PRODUCING A-ACYLOXY CARBOXYLIC ACID ESTER MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2022-05-25 EP disclosed
EP-3816270-A1 ISOBUTYRIC ACID ESTER COMPOUND HAVING FORMYLOXY GROUP IN ?-POSITION, FRAGRANCE MATERIAL COMPOSITION, AND USE AS FRAGRANCE MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-05-05 EP disclosed
EP-3816270-A1 ISOBUTYRIC ACID ESTER COMPOUND HAVING FORMYLOXY GROUP IN ?-POSITION, FRAGRANCE MATERIAL COMPOSITION, AND USE AS FRAGRANCE MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-05-05 EP disclosed
CN-112352037-A Isobutyrate compounds having formyloxy group in alpha position, fragrance compositions and use as fragrance 三菱瓦斯化学株式会社 2021-02-09 CN disclosed
US-20030216258-A1 Condensed heterocylic compounds and herbicides containing them as active ingredients SUMITOMO CHEMICAL COMPANY, LIMITED 2003-11-20 US disclosed
US-6586368-B1 Benzofuran derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-07-01 US 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-20220274909-A1 METHOD FOR PRODUCING ALPHA-ACYLOXYCARBOXYLIC ACID ESTER ACACA, PCCA, APEH TDP1 3497/4885TSHR 859/4885MEN1 1591/4885
US-20030216258-A1 Condensed heterocylic compounds and herbicides containing them as active ingredients CBR3, CBR1, HAAO TDP1 1151/4885TSHR 1858/4885MEN1 4239/4885

“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.