SCHEMBL667039

SCHEMBL667039

CC(C)(CC(=O)O)CC(=O)OCC[Si](C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
FFAR1 O14842 1/20 0.38
CPT2 P23786 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HMGCR P04035 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
ADRA1A P35348 1/20 0.34
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31

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
SCHEMBL667038 0.93 ADRA2A (0.30) ADRA1A
SCHEMBL4254119 0.85 TDP1 (0.46) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL7841654 0.75 GAA (0.46) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL4334241 0.75 MGAM (0.36) ADRA1ATSHR
SCHEMBL1506857 0.74 NAAA (0.56) FFAR1CPT2TDP1TSHR
SCHEMBL1506826 0.74 NAAA (0.56) FFAR1CPT2TDP1TSHR
SCHEMBL1506852 0.74 NAAA (0.56) FFAR1CPT2TDP1TSHR
SCHEMBL1506885 0.74 NAAA (0.56) FFAR1CPT2TDP1TSHR
SCHEMBL12055333 0.74 TDP1 (0.37) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL1506836 0.74 NAAA (0.56) FFAR1CPT2TDP1TSHR

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
EP-3796900-B1 TRITERPENE AMINE DERIVATIVES DFH THERAPEUTICS (US) 2026-04-08 EP disclosed
US-11236122-B2 Triterpene amine derivatives DFH THERAPEUTICS (US) 2022-02-01 US disclosed
US-20210253627-A1 TRITERPENE AMINE DERIVATIVES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-08-19 US disclosed
EP-3796900-A1 TRITERPENE AMINE DERIVATIVES DFH Therapeutics (US) 2021-03-31 EP disclosed
US-20170096446-A1 Extended Triterpene Derivatives MYREXIS, INC. (US) 2017-04-06 US disclosed
US-9505800-B2 Extended triterpene derivatives MYREXIS, INC. (US) 2016-11-29 US disclosed
US-20120046291-A1 Extended Triterpene Derivatives MYREXIS, INC. 2012-02-23 US disclosed
WO-2008057420-A2 EXTENDED TRITERPENE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-05-15 WO 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 (4 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-20210253627-A1 TRITERPENE AMINE DERIVATIVES BET1, PGGT1B, NFATC1 KDM4E 1661/4885FFAR1 3651/4885CPT2 2221/4885
US-20170096446-A1 Extended Triterpene Derivatives BET1, PGGT1B, TMPO KDM4E 2853/4885FFAR1 3689/4885CPT2 1593/4885
US-20120046291-A1 Extended Triterpene Derivatives BET1, PGGT1B, TMPO KDM4E 2853/4885FFAR1 3689/4885CPT2 1593/4885
US-11236122-B2 Triterpene amine derivatives BET1, PGGT1B, NFATC1 KDM4E 1661/4885FFAR1 3651/4885CPT2 2221/4885

“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.