SCHEMBL16295011

SCHEMBL16295011

CCOC(=O)COc1ccc(Cn2c(=O)oc3cc(OC(C)=O)ccc32)cc1OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.47
▸ HTT P42858 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GAA P10253 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL17327970 0.86 TSHR (0.65) TSHRHTTKDM4ELMNASMN1; SMN2
SCHEMBL17327966 0.77 TSHR (0.80) TSHRHTTKDM4ELMNASMN1; SMN2
SCHEMBL17312297 0.76 TSHR (0.63) TSHRHTTKDM4ELMNASMN1; SMN2
SCHEMBL3633664 0.72 MIF (0.48) HTTLMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL16294378 0.71 INSR (0.43) TSHRKDM4ELMNAALDH1A1KMT2A
SCHEMBL17327987 0.71 ALDH1A1 (0.54) KDM4ELMNACYP1A2CYP3A4CYP2C9
SCHEMBL2434899 0.71 ESR1 (0.53) TSHRKDM4ELMNACYP1A2CYP3A4
SCHEMBL28782675 0.71 IDO1 (0.53) MIF
SCHEMBL3632389 0.69 MIF (0.47) HTTLMNASMN1; SMN2ALDH1A1MIF
SCHEMBL3074930 0.68 TP53 (0.66) TSHRHTTLMNAALDH1A1MEN1

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 7 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
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 1057/4885KDM4E 3389/4885

“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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