SCHEMBL21711900

SCHEMBL21711900

COC(=O)c1cc(CO)cc(-c2cnccc2C)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 12/20 0.47
SLC2A1 P11166 1/20 0.46
ABL1 P00519 1/20 0.43
CYP2A6 P11509 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CYP46A1 Q9Y6A2 1/20 0.41
IL2 P60568 1/20 0.40

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
SCHEMBL21712000 0.89 LOXL2 (0.47) WDR5SLC2A1CYP2A6
SCHEMBL21711931 0.83 WDR5 (0.45) WDR5SLC2A1CYP2A6ALDH1A1CYP11B1
SCHEMBL21817675 0.82 CYP4F2 (0.44) SLC2A1
SCHEMBL21712033 0.81 WDR5 (0.49) WDR5
SCHEMBL15999111 0.81 SLC2A1 (0.61) SLC2A1ABL1ALDH1A1CYP11B1CYP11B2
SCHEMBL31027179 0.79 GPBAR1 (0.56) SLC2A1
SCHEMBL21817824 0.79 WDR5 (0.47) WDR5SLC2A1ABL1CYP2A6ATM
SCHEMBL29236310 0.79 GPBAR1 (0.56) SLC2A1
SCHEMBL21819238 0.78 MKNK1 (0.49) WDR5SLC2A1ALDH1A1
SCHEMBL21819198 0.77 WDR5 (0.44) WDR5SLC2A1CYP2A6ATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10807959-B2 WDR5-MLL1 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2020-10-20 US disclosed
US-20200055824-A1 WDR5-MLL1 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2020-02-20 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 (2 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-10807959-B2 WDR5-MLL1 inhibitors and modulators WDR5, WDR1, WDR3 WDR5 1/4885SLC2A1 4450/4885ABL1 582/4885
US-20200055824-A1 WDR5-MLL1 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 WDR5 1/4885SLC2A1 4450/4885ABL1 582/4885

“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.