SCHEMBL665276

SCHEMBL665276

CC(C)(CC(=O)[O-])C(=O)[O-].[H+].[H+]

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA4 P22748 3/20 0.46
FFAR3 O14843 2/20 0.33
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
CA2 P00918 1/20 0.31
CASP1 P29466 1/20 0.30
CA1 P00915 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
SCHEMBL6739454 0.94 CA4 (0.46) CA4FFAR3HDAC3HDAC1HDAC2
SCHEMBL8844249 0.94 CA4 (0.52) CA4FFAR3HDAC3HDAC1HDAC2
Silver SCHEMBL6739447 0.94 CA4 (0.46) CA4FFAR3HDAC3HDAC1HDAC2
Water SCHEMBL14109454 0.92 CA4 (0.44) CA4FFAR3HDAC3HDAC1HDAC2
SCHEMBL666362 0.77 CA4 (0.43) CA4FFAR3HDAC3HDAC1HDAC2
SCHEMBL9768490 0.76 ALDH1A1 (0.38) CA4HMGCRCHRM1TBXA2RADRA1A
T-Butylacetic Acid SCHEMBL11218671 0.71
SCHEMBL10887232 0.71 CA4 (0.43) CA4FFAR3HDAC3HDAC1HDAC2
Silver SCHEMBL6733904 0.71 CA4 (0.43) CA4FFAR3HDAC3HDAC1HDAC2
T-Butylacetic Acid SCHEMBL4319302 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20170096446-A1 Extended Triterpene Derivatives BET1, PGGT1B, TMPO CA4 1926/4885FFAR3 2513/4885HDAC3 1537/4885
US-20120046291-A1 Extended Triterpene Derivatives BET1, PGGT1B, TMPO CA4 1926/4885FFAR3 2513/4885HDAC3 1537/4885

“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.