SCHEMBL24916213

SCHEMBL24916213

COc1ccc(C(C)C)c2cc(C)cnc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.43
ATP4B P51164 2/20 0.43
P2RX3 P56373 7/20 0.40
P2RX2 Q9UBL9 7/20 0.40
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
HPGDS O60760 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR2 P34972 1/20 0.36
ACHE P22303 1/20 0.35
TNF P01375 1/20 0.35
LITAF Q99732 1/20 0.35

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
SCHEMBL24916307 0.80 CCR1 (0.42) ATP4AATP4BCCR1CCR5CCR8
SCHEMBL24915646 0.78 P2RX3 (0.37) ATP4AATP4BP2RX3P2RX2MEN1
SCHEMBL24715886 0.78 NQO2 (0.47) CCR1CCR5CCR8HPGDSLMNA
SCHEMBL29923737 0.78 CCR1 (0.40) ATP4AATP4BCCR1CCR5CCR8
SCHEMBL24916302 0.78 CCR1 (0.40) ATP4AATP4BCCR1CCR5CCR8
SCHEMBL24715864 0.78 MAPT (0.44) ATP4AATP4BCCR1CCR5CCR8
SCHEMBL24715871 0.78 CCR1 (0.40) ATP4AATP4BCCR1CCR5CCR8
SCHEMBL24762553 0.78 CCR1 (0.40) P2RX3P2RX2CCR1CCR5CCR8
SCHEMBL24634726 0.74 GAA (0.51) ATP4AATP4BMEN1KMT2A
SCHEMBL24915600 0.72 P2RX3 (0.40) ATP4AATP4BP2RX3P2RX2MEN1

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-20230026466-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-26 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-20230026466-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 ATP4A 3440/4885ATP4B 3081/4885P2RX3 3671/4885

“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.