SCHEMBL16295256

SCHEMBL16295256

CCOC(=O)COc1ccc(C=O)cc1OC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.58
KDM4E B2RXH2 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.47
FDPS P14324 1/20 0.46
USP2 O75604 1/20 0.44
MAPK1 P28482 1/20 0.44
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL2008196 0.90 ALDH1A1 (0.69) ALDH1A1KDM4ESMN1; SMN2POLBFDPS
SCHEMBL13858849 0.87 ALDH1A1 (0.74) ALDH1A1KDM4ESMN1; SMN2POLBFDPS
SCHEMBL3788224 0.86 ALDH1A1 (0.76) ALDH1A1KDM4ESMN1; SMN2POLBFDPS
SCHEMBL16294326 0.85 ALDH1A1 (0.55) ALDH1A1KDM4ESMN1; SMN2POLBFDPS
SCHEMBL1949645 0.83 ALDH1A1 (0.67) ALDH1A1KDM4ESMN1; SMN2POLBFDPS
SCHEMBL13850149 0.83 ALDH1A1 (0.56) ALDH1A1KDM4ESMN1; SMN2POLBUSP2
SCHEMBL1949360 0.83 ALDH1A1 (0.56) ALDH1A1KDM4ESMN1; SMN2POLBUSP2
Protocatechualdehyde SCHEMBL5782828 0.83 ALDH1A1 (0.60) ALDH1A1KDM4ESMN1; SMN2POLBMAPT
SCHEMBL14526126 0.82 ALDH1A1 (0.58) ALDH1A1KDM4ESMN1; SMN2POLBUSP2
SCHEMBL13858670 0.82 ALDH1A1 (0.55) ALDH1A1KDM4ESMN1; SMN2POLBUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9549988-B2 Pharmaceutical compounds targeted by MIF affinity-tethered moieties RJS Biologics (US) 2017-01-24 US disclosed
US-9549988-B2 Pharmaceutical compounds targeted by MIF affinity-tethered moieties RJS Biologics (US) 2017-01-24 US disclosed
US-9549988-B2 Pharmaceutical compounds targeted by MIF affinity-tethered moieties RJS Biologics (US) 2017-01-24 US disclosed
US-20150352217-A1 Pharmaceutical Compounds Targeted by MIF Affinity-Tethered Moieties RJS BIOLOGICS LLC 2015-12-10 US disclosed
US-20150352217-A1 Pharmaceutical Compounds Targeted by MIF Affinity-Tethered Moieties RJS BIOLOGICS LLC 2015-12-10 US disclosed
US-20150352217-A1 Pharmaceutical Compounds Targeted by MIF Affinity-Tethered Moieties RJS BIOLOGICS LLC 2015-12-10 US disclosed
WO-2014200872-A9 PHARMACEUTICAL COMPOUNDS TARGETED BY MIF AFFINITY-TETHERED MOIETIES RJS BIOLOGICS LLC (US) 2015-02-05 WO disclosed
WO-2014200872-A1 PHARMACEUTICAL COMPOUNDS TARGETED BY MIF AFFINITY-TETHERED MOIETIES RJS BIOLOGICS LLC (US) 2014-12-18 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 (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-20150352217-A1 Pharmaceutical Compounds Targeted by MIF Affinity-Tethered Moieties MIF, HMGB2, HMGB1 ALDH1A1 2238/4885KDM4E 3389/4885SMN1; SMN2 3667/4885

“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.