SCHEMBL18272769

SCHEMBL18272769

CC(=O)OC[C@H]1O[C@@H](OC(=N)C(Cl)(Cl)Cl)[C@@H](OC(C)=O)C1OC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.56
THRB P10828 1/20 0.56
HSD17B10 Q99714 1/20 0.56
CA2 P00918 7/20 0.49
NR3C1 P04150 1/20 0.49
FYN P06241 1/20 0.49
ADRA2A P08913 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
ADRA2B P18089 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
TSHR P16473 1/20 0.46
CA12 O43570 6/20 0.45
CA1 P00915 5/20 0.45
CA9 Q16790 4/20 0.45
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.43
CA4 P22748 2/20 0.43
CA5A P35218 2/20 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
SCHEMBL26759844 1.00 CYP2D6 (0.56) CYP2D6THRBHSD17B10CA2NR3C1
SCHEMBL4851588 1.00 CYP2D6 (0.56) CYP2D6THRBHSD17B10CA2NR3C1
SCHEMBL20552592 1.00 CYP2D6 (0.56) CYP2D6THRBHSD17B10CA2NR3C1
SCHEMBL17724779 0.99 CYP2D6 (0.59) CYP2D6THRBHSD17B10CA2NR3C1
SCHEMBL18105805 0.99 CYP2D6 (0.59) CYP2D6THRBHSD17B10CA2NR3C1
SCHEMBL1687338 0.99 CYP2D6 (0.59) CYP2D6THRBHSD17B10CA2NR3C1
SCHEMBL15040789 0.99 CYP2D6 (0.59) CYP2D6THRBHSD17B10CA2NR3C1
SCHEMBL8515524 0.99 CYP2D6 (0.59) CYP2D6THRBHSD17B10CA2NR3C1
SCHEMBL15747016 0.99 CYP2D6 (0.59) CYP2D6THRBHSD17B10CA2NR3C1
SCHEMBL414930 0.99 CYP2D6 (0.59) CYP2D6THRBHSD17B10CA2NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160347782-A1 4-methylcatechol Derivatives and Uses Thereof Thanares GmbH (DE) 2016-12-01 US 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-20160347782-A1 4-methylcatechol Derivatives and Uses Thereof ST3GAL3, GALE, DPP4 CYP2D6 111/4885THRB 4350/4885HSD17B10 468/4885

“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.