SCHEMBL23910549

SCHEMBL23910549

CC(C)(C)OC(=O)CCNC(CO)(CO)CO

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
EPHX2 P34913 1/20 0.35
MLYCD O95822 1/20 0.35
CYP2D6 P10635 1/20 0.33
DGAT1 O75907 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 3/20 0.31
CA14 Q9ULX7 3/20 0.31
CA2 P00918 2/20 0.31
CA1 P00915 1/20 0.31
STING1 Q86WV6 1/20 0.31
TSHR P16473 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
SCHEMBL4073058 0.82 TSHR (0.50) EPHX2MEN1GAAKMT2ACA12
SCHEMBL10045818 0.82 EPHX2 (0.38) TDP1EPHX2MLYCDCYP2D6DGAT1
SCHEMBL17222818 0.77 EPHX2 (0.40) TDP1EPHX2MLYCDCYP2D6DGAT1
SCHEMBL3485766 0.77 EPHX2 (0.40) TDP1EPHX2MLYCDCYP2D6DGAT1
SCHEMBL17243980 0.76 HRH3 (0.41) TDP1EPHX2CYP2D6DGAT1HDAC3
SCHEMBL410766 0.75 EPHX2 (0.39) TDP1EPHX2MLYCDCYP2D6DGAT1
SCHEMBL16887385 0.75 EPHX2 (0.39) TDP1EPHX2MLYCDCYP2D6DGAT1
SCHEMBL6191373 0.74 TDP1 (0.42) TDP1EPHX2MLYCDCYP2D6DGAT1
Hydrochloric Acid SCHEMBL8024182 0.74
SCHEMBL10209390 0.74 EPHX2 (0.38) TDP1EPHX2MLYCDCYP2D6DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317071-A1 PH-RESPONSIVE LIPIDS UNIVERSITY OF KWAZULU-NATAL (ZA) 2021-10-14 US disclosed
US-20210317071-A1 PH-RESPONSIVE LIPIDS UNIVERSITY OF KWAZULU-NATAL (ZA) 2021-10-14 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-20210317071-A1 PH-RESPONSIVE LIPIDS FASN, ELOVL1, FFAR1 TDP1 4412/4885EPHX2 154/4885MLYCD 786/4885

“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.