SCHEMBL16296797

SCHEMBL16296797

COc1cc(Cn2c(=O)oc3ccc(C)cc32)ccc1OCC(=O)O

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.78
▸ HTT P42858 4/20 0.78
▸ SMN1; SMN2 Q16637 4/20 0.78
▸ LMNA P02545 4/20 0.78
▸ ALDH1A1 P00352 1/20 0.78
▸ KDM4E B2RXH2 1/20 0.77
▸ GAA P10253 1/20 0.70
▸ MAPK1 P28482 1/20 0.70
▸ MIF P14174 5/20 0.58
▸ CD74 P04233 3/20 0.57
▸ KMT2A Q03164 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL17312297 0.90 TSHR (0.63) TSHRHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL17327966 0.89 TSHR (0.80) TSHRHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL16296741 0.89 TSHR (0.63) TSHRHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL16296890 0.83 TSHR (0.80) TSHRHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL17312321 0.82 TSHR (0.74) TSHRHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL18402541 0.82 TSHR (0.65) TSHRHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL18402582 0.80 TSHR (0.56) TSHRHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL17327970 0.80 TSHR (0.65) TSHRHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL18402538 0.80 TSHR (0.62) TSHRHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL17312335 0.77 TSHR (0.59) TSHRHTTSMN1; SMN2LMNAALDH1A1

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 TSHR 3054/4885HTT 1057/4885SMN1; 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.

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