SCHEMBL16294378

SCHEMBL16294378

CCOC(=O)COc1ccc(CNc2ccc(OC(C)=O)cc2O)cc1OC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ INSR P06213 1/20 0.43
▸ IGF1R P08069 1/20 0.43
▸ HPGD P15428 2/20 0.42
▸ ESR1 P03372 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ ADRB3 P13945 2/20 0.38
▸ MAPT P10636 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL17327969 0.84 GAA (0.43) INSRIGF1RHPGDESR1ALDH1A1
SCHEMBL17327987 0.75 ALDH1A1 (0.54) HPGDESR1ALDH1A1MAPTKDM4E
SCHEMBL2434899 0.75 ESR1 (0.53) HPGDESR1ALDH1A1MAPK1MAPT
SCHEMBL16295011 0.71 TSHR (0.47) HPGDALDH1A1MAPK1MAPTKDM4E
SCHEMBL16295256 0.70 ALDH1A1 (0.58) HPGDALDH1A1MAPK1MAPTKDM4E
SCHEMBL9369313 0.69 USP2 (0.57) HPGDALDH1A1MAPK1MAPTKDM4E
SCHEMBL8621802 0.69 GAA (0.64) HPGDALDH1A1MAPTKDM4EGAA
SCHEMBL2417527 0.68 PTGS1 (0.48) INSRIGF1RALDH1A1KDM4EGAA
SCHEMBL6198356 0.68 CYP3A4 (0.50) ESR1ALDH1A1MAPK1MAPTKDM4E
SCHEMBL2007090 0.68 ALDH1A1 (0.56) HPGDESR1ALDH1A1ADRB3KDM4E

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 INSR 1164/4885IGF1R 101/4885HPGD 1329/4885

“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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