SCHEMBL25779014

SCHEMBL25779014

CCOC(=O)CC(=O)OC(C)C1CCC(C)(C)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
EPHX2 P34913 2/20 0.38
ALOX15 P16050 1/20 0.36
UGT2B7 P16662 2/20 0.33
ALDH1A1 P00352 3/20 0.33
NR1H4 Q96RI1 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TRPA1 O75762 1/20 0.32
LMNA P02545 2/20 0.31
SMYD3 Q9H7B4 1/20 0.31
BLM P54132 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
CYP2D6 P10635 1/20 0.31
KMT2A Q03164 3/20 0.31
KDM4E B2RXH2 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
SCHEMBL233611 0.85 MGAM (0.40) MGAMGAASIMGAM2EPHX2
SCHEMBL19436038 0.85 MGAM (0.40) MGAMGAASIMGAM2EPHX2
SCHEMBL3867901 0.85 MGAM (0.40) MGAMGAASIMGAM2EPHX2
SCHEMBL12332966 0.85 MGAM (0.40) MGAMGAASIMGAM2EPHX2
SCHEMBL3871745 0.85 MGAM (0.40) MGAMGAASIMGAM2EPHX2
SCHEMBL28020726 0.83 MGAM (0.36) MGAMGAASIMGAM2EPHX2
SCHEMBL25293694 0.82 LMNA (0.32) LMNABLMCYP2D6KMT2A
SCHEMBL25293630 0.79 CYP2D6 (0.31) CYP2D6
SCHEMBL30175181 0.78 LMNA (0.31) LMNABLMCYP2D6
SCHEMBL31547087 0.76 L3MBTL1 (0.39) GAAEPHX2UGT2B7ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230202963-A1 ESTERS AS FRAGRANCE COMPOUNDS SYMRISE AG (DE) 2023-06-29 US disclosed
US-20230202963-A1 ESTERS AS FRAGRANCE COMPOUNDS SYMRISE AG (DE) 2023-06-29 US disclosed
US-20230202963-A1 ESTERS AS FRAGRANCE COMPOUNDS SYMRISE AG (DE) 2023-06-29 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 (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-20230202963-A1 ESTERS AS FRAGRANCE COMPOUNDS CUTA, TRPA1, FASN MGAM 3672/4885GAA 3084/4885SI 958/4885

“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.