SCHEMBL21711610

SCHEMBL21711610

O=C(O)c1cc(CO)cc(-c2ccc(F)cc2C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.47
AKR1C3 P42330 3/20 0.44
AKR1C2 P52895 3/20 0.44
WDR5 P61964 3/20 0.42
SRD5A2 P31213 1/20 0.41
ADH5 P11766 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER1 P34995 1/20 0.39
EIF4E P06730 1/20 0.39
PTPRB P23467 1/20 0.39
PPARA Q07869 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
S1PR1 P21453 2/20 0.38

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
SCHEMBL21817631 0.85 WDR5 (0.47) MRGPRX4AKR1C3AKR1C2WDR5S1PR1
SCHEMBL21818224 0.84 PPARG (0.49) MRGPRX4AKR1C3AKR1C2WDR5PTGER4
SCHEMBL21712103 0.81 SRD5A2 (0.43) MRGPRX4WDR5SRD5A2PTGER1EIF4E
SCHEMBL21817881 0.81 WDR5 (0.45) MRGPRX4WDR5PTGER4PTGER1PPARA
SCHEMBL21817743 0.79 WDR5 (0.41) WDR5PTGER4PTGER1PPARAKMT2A
SCHEMBL21817685 0.78 WDR5 (0.40) WDR5PTGER1
SCHEMBL21817105 0.77 WDR5 (0.71) WDR5
SCHEMBL12577785 0.76 TRPA1 (0.44) MRGPRX4AKR1C3AKR1C2S1PR1
SCHEMBL3656313 0.74 TTR (0.44) MRGPRX4AKR1C3AKR1C2PTGER1PPARA
SCHEMBL21817493 0.72 DHODH (0.50) MRGPRX4WDR5PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10844044-B2 WDR5 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2020-11-24 US disclosed
US-10807959-B2 WDR5-MLL1 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2020-10-20 US disclosed
US-20200102288-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2020-04-02 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 (4 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-20200102288-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 MRGPRX4 2347/4885AKR1C3 4351/4885AKR1C2 4097/4885
US-10844044-B2 WDR5 inhibitors and modulators WDR5, WDR1, WDR3 MRGPRX4 2266/4885AKR1C3 4293/4885AKR1C2 4015/4885
US-10807959-B2 WDR5-MLL1 inhibitors and modulators WDR5, WDR1, WDR3 MRGPRX4 2292/4885AKR1C3 4211/4885AKR1C2 3676/4885
US-20200055824-A1 WDR5-MLL1 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 MRGPRX4 2292/4885AKR1C3 4211/4885AKR1C2 3676/4885

“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.