SCHEMBL14307495

SCHEMBL14307495

CC(C)(C)OC(=O)C[S@+]([O-])C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.32
DGAT1 O75907 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL16139487 1.00 CYP2D6 (0.32) CYP2D6DGAT1HDAC3HDAC1HDAC2
SCHEMBL15082104 0.80 CYP2D6 (0.33) CYP2D6DGAT1HDAC3HDAC1HDAC2
SCHEMBL16141690 0.77 CA12 (0.33) CYP2D6DGAT1HDAC3HDAC1HDAC2
Bromide SCHEMBL11395572 0.73 DGAT1 (0.33) CYP2D6DGAT1HDAC3HDAC1HDAC2
SCHEMBL4910463 0.72 HMGCR (0.36) CYP2D6
SCHEMBL20892278 0.69 MTNR1A (0.37) CA12CA14
SCHEMBL29062585 0.68 APP (0.32) DGAT1HDAC3HDAC1HDAC2HDAC8
SCHEMBL12040169 0.68 DGAT1 (0.34) CYP2D6DGAT1HDAC3HDAC1HDAC2
SCHEMBL644646 0.68 TSHR (0.45) CYP2D6DGAT1HDAC3HDAC1HDAC2
SCHEMBL241533 0.68 DGAT1 (0.46) CYP2D6DGAT1HDAC3HDAC1HDAC2

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-10710061-B2 Ion pair catalysis of tungstate and molybdate NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2020-07-14 US disclosed
US-7332610-B2 Method of preparing amine stereoisomers APSINTERM LLC (US) 2008-02-19 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-10710061-B2 Ion pair catalysis of tungstate and molybdate PRDX3, PRDX4, PRDX2 CYP2D6 139/4885DGAT1 2012/4885HDAC3 3725/4885

“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.