SCHEMBL817934

SCHEMBL817934

[2H]C[C@H]1O[C@@H](C)C[C@H]1OC(=O)CCC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.36
NR2C2 P49116 1/20 0.35
TAB1 Q15750 1/20 0.35
KDM6B O15054 1/20 0.32
KDM5C P41229 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
HTT P42858 1/20 0.31
PTGES2 Q9H7Z7 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 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
SCHEMBL14805495 1.00 MMP3 (0.36) MMP3NR2C2TAB1KDM6BKDM5C
SCHEMBL817541 0.88 TSHR (0.38) HTTTSHRALDH1A1LMNA
SCHEMBL889195 0.84 MMP3 (0.33) MMP3NR2C2TAB1KDM6BKDM5C
SCHEMBL17875663 0.81 MEN1 (0.31)
SCHEMBL13374202 0.78 MMP3 (0.36) MMP3NR2C2TAB1KDM6BKDM5C
SCHEMBL889177 0.72 TSHR (0.37) HTTTSHRALDH1A1LMNA
SCHEMBL16773690 0.70 MMP3 (0.33) MMP3KDM6BKDM5CEGLN1PHF8
SCHEMBL13020728 0.68
SCHEMBL24759247 0.67 HTT (0.41) MMP3KDM6BKDM5CEGLN1PHF8
SCHEMBL20320692 0.67 HTT (0.39) MMP3KDM6BKDM5CEGLN1PHF8

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-20110065822-A1 POROUS RESIN BEAD AND METHOD FOR PRODUCING NUCLEIC ACID USING THE SAME NITTO DENKO CORPORATION (JP) 2011-03-17 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-20110065822-A1 POROUS RESIN BEAD AND METHOD FOR PRODUCING NUCLEIC ACID USING THE SAME PCNA, PARN, PHAX MMP3 3476/4885NR2C2 3085/4885TAB1 2280/4885

“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.