SCHEMBL16294684

SCHEMBL16294684

COc1cc(CNc2cc(C)ccc2O)ccc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.65
GAA P10253 5/20 0.65
MAPT P10636 4/20 0.65
KMT2A Q03164 3/20 0.65
KDM4E B2RXH2 3/20 0.65
ALOX15 P16050 2/20 0.65
HSD17B10 Q99714 2/20 0.65
POLB P06746 2/20 0.65
HPGD P15428 2/20 0.65
LMNA P02545 4/20 0.56
MEN1 O00255 1/20 0.51
TSHR P16473 4/20 0.50
TAAR1 Q96RJ0 2/20 0.50
MAPK1 P28482 2/20 0.50
TDP1 Q9NUW8 4/20 0.49
FOS P01100 1/20 0.49
TTR P02766 1/20 0.49
JUN P05412 1/20 0.49
NR3C1 P04150 1/20 0.49
HSD17B1 P14061 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
SCHEMBL10874673 0.84 ALDH1A1 (0.54) ALDH1A1GAAMAPTKMT2AKDM4E
SCHEMBL10873018 0.82 MAPT (0.53) ALDH1A1GAAMAPTKMT2AKDM4E
SCHEMBL5501416 0.80 ALDH1A1 (0.64) ALDH1A1GAAMAPTKMT2AKDM4E
SCHEMBL10872373 0.80 ALDH1A1 (0.64) ALDH1A1GAAMAPTKMT2AKDM4E
SCHEMBL10874302 0.78 ALDH1A1 (0.47) ALDH1A1GAAMAPTKMT2AKDM4E
SCHEMBL3404445 0.78 ALDH1A1 (0.68) ALDH1A1GAAMAPTKMT2AKDM4E
SCHEMBL3412404 0.78 ALDH1A1 (0.74) ALDH1A1GAAMAPTKMT2AKDM4E
SCHEMBL5833247 0.77 TAAR1 (0.62) ALDH1A1GAAMAPTKMT2AKDM4E
SCHEMBL11969383 0.77 TAAR1 (0.62) ALDH1A1GAAMAPTKMT2AKDM4E
SCHEMBL23798669 0.77 HDAC1 (0.48) ALDH1A1GAAMAPTKMT2AKDM4E

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 2238/4885GAA 1058/4885MAPT 2168/4885

“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.