SCHEMBL3415684

SCHEMBL3415684

CC(C)(CCCl)OC(=O)CCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.39
KDM6B O15054 1/20 0.39
KDM5C P41229 1/20 0.39
PHF8 Q9UPP1 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39
LMNA P02545 3/20 0.35
ALKBH5 Q6P6C2 1/20 0.35
SUCNR1 Q9BXA5 1/20 0.35
SLC15A2 Q16348 1/20 0.33
BBOX1 O75936 3/20 0.32
TSHR P16473 2/20 0.32
NAALAD2 Q9Y3Q0 1/20 0.32
VCAM1 P19320 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ESR1 P03372 1/20 0.30
CYP3A4 P08684 1/20 0.30
ESR2 Q92731 1/20 0.30
FFAR3 O14843 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 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
SCHEMBL3415688 0.92 TSHR (0.35) TSHR
SCHEMBL17848826 0.82 FFAR3 (0.41) EGLN1KDM6BKDM5CPHF8KDM2A
SCHEMBL23587983 0.82 EGLN1 (0.41) EGLN1KDM6BKDM5CPHF8KDM2A
SCHEMBL686779 0.81 EGLN1 (0.39) EGLN1KDM6BKDM5CPHF8KDM2A
SCHEMBL26978208 0.79 AKR1B1 (0.43) EGLN1KDM6BKDM5CPHF8KDM2A
SCHEMBL22343513 0.78 EGLN1 (0.37) EGLN1KDM6BKDM5CPHF8KDM2A
SCHEMBL13785296 0.78 EGLN1 (0.43) EGLN1KDM6BKDM5CPHF8KDM2A
SCHEMBL16883005 0.78 EGLN1 (0.43) EGLN1KDM6BKDM5CPHF8KDM2A
SCHEMBL1964653 0.77 GAA (0.33)
Chloromethane SCHEMBL3415691 0.77 EGLN1 (0.46) EGLN1KDM6BKDM5CPHF8KDM2A

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-7662977-B2 PI-3 kinase inhibitor prodrugs SEMAFORE PHARMACEUTICALS, INC. (US) 2010-02-16 US claimed
US-20080188423-A1 PI-3 KINASE INHIBITOR PRODRUGS SIGNALRX PHARMACEUTICALS, INC. 2008-08-07 US claimed

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-20080188423-A1 PI-3 KINASE INHIBITOR PRODRUGS PI4KA, PI4KB, PI4K2B EGLN1 1639/4885KDM6B 763/4885KDM5C 685/4885

“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.