SCHEMBL4254119

SCHEMBL4254119

CC(C)(CC(=O)O)CC(=O)OCCOC(=O)CC(C)(C)CC(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 1/20 0.46
FFAR1 O14842 1/20 0.46
CPT2 P23786 1/20 0.46
ADRA1A P35348 2/20 0.42
HMGCR P04035 1/20 0.42
CHRM1 P11229 1/20 0.42
TBXA2R P21731 1/20 0.42
CYP2C19 P33261 2/20 0.41
HIF1A Q16665 2/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.35
DGKA P23743 1/20 0.34
BHMT Q93088 3/20 0.33
ADRA2A P08913 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32

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
SCHEMBL12055333 0.87 TDP1 (0.37) TDP1KDM4EFFAR1CPT2ADRA1A
SCHEMBL667039 0.85 KDM4E (0.38) TDP1KDM4EFFAR1CPT2ADRA1A
SCHEMBL7841654 0.84 GAA (0.46) TDP1KDM4EFFAR1CPT2ADRA1A
SCHEMBL1506890 0.83 NAAA (0.56) TDP1FFAR1CPT2TSHRDGKA
SCHEMBL1506857 0.83 NAAA (0.56) TDP1FFAR1CPT2TSHRDGKA
SCHEMBL1506836 0.83 NAAA (0.56) TDP1FFAR1CPT2TSHRDGKA
SCHEMBL1506852 0.83 NAAA (0.56) TDP1FFAR1CPT2TSHRDGKA
SCHEMBL1506826 0.83 NAAA (0.56) TDP1FFAR1CPT2TSHRDGKA
SCHEMBL1506885 0.83 NAAA (0.56) TDP1FFAR1CPT2TSHRDGKA
SCHEMBL1506838 0.83 NAAA (0.56) TDP1FFAR1CPT2TSHRDGKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084625-B2 Crosslinking agent, crosslinking method, method of controlling gene expression, and method of examining gene function WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2011-12-27 US disclosed
US-8084625-B2 Crosslinking agent, crosslinking method, method of controlling gene expression, and method of examining gene function WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2011-12-27 US disclosed
US-8084625-B2 Crosslinking agent, crosslinking method, method of controlling gene expression, and method of examining gene function WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2011-12-27 US disclosed
US-20090023140-A1 CROSSLINKING AGENT, CROSSLINKING METHOD, METHOD OF CONTROLLING GENE EXPRESSION, AND METHOD OF EXAMINING GENE FUNCTION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2009-01-22 US disclosed
US-20090023140-A1 CROSSLINKING AGENT, CROSSLINKING METHOD, METHOD OF CONTROLLING GENE EXPRESSION, AND METHOD OF EXAMINING GENE FUNCTION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2009-01-22 US disclosed
US-20090023140-A1 CROSSLINKING AGENT, CROSSLINKING METHOD, METHOD OF CONTROLLING GENE EXPRESSION, AND METHOD OF EXAMINING GENE FUNCTION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2009-01-22 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-20090023140-A1 CROSSLINKING AGENT, CROSSLINKING METHOD, METHOD OF CONTROLLING GENE EXPRESSION, AND METHOD OF EXAMINING GENE FUNCTION DCLRE1A, RNGTT, NSUN2 TDP1 1327/4885KDM4E 2187/4885FFAR1 4821/4885

“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.