SCHEMBL12373465

SCHEMBL12373465

C/C=C(\CC(=O)O)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.43
TSHR P16473 3/20 0.41
KDM4E B2RXH2 1/20 0.41
LDHA P00338 1/20 0.38
SRR Q9GZT4 1/20 0.38
TGFBR1 P36897 1/20 0.38
RECQL P46063 1/20 0.35
ALDH1A1 P00352 3/20 0.35
TET2 Q6N021 1/20 0.33
CYP2D6 P10635 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HCAR2 Q8TDS4 2/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
CPB1 P15086 1/20 0.31
FFAR3 O14843 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
SCHEMBL12305758 0.84 EGLN1 (0.39) EGLN1TSHRKDM4ELDHASRR
SCHEMBL2926536 0.81 TSHR (0.60) EGLN1TSHRKDM4ELDHASRR
SCHEMBL2926538 0.81 TSHR (0.60) EGLN1TSHRKDM4ELDHASRR
SCHEMBL12101265 0.81 EGLN1 (0.40) EGLN1TSHRKDM4ELDHASRR
SCHEMBL15741484 0.81 TSHR (0.60) EGLN1TSHRKDM4ELDHASRR
SCHEMBL5607058 0.80 MGAM (0.46) EGLN1TSHRKDM4ERECQLALDH1A1
SCHEMBL1597248 0.79 ALDH1A1 (0.50) EGLN1TSHRKDM4EALDH1A1CYP2D6
SCHEMBL28083775 0.78 ALDH1A1 (0.33) EGLN1TSHRALDH1A1TET2HCAR2
SCHEMBL14286300 0.78 TET2 (0.37) EGLN1TSHRTGFBR1ALDH1A1TET2
SCHEMBL7046252 0.78 GRIK1 (0.39) EGLN1TSHRKDM4ELDHASRR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201815-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-08-18 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-20110201815-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, PON1, CBR1 EGLN1 965/4885TSHR 3138/4885KDM4E 3945/4885

“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.