SCHEMBL24916307

SCHEMBL24916307

COc1ccc(C)c2cc(C)cnc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.42
CCR5 P51681 1/20 0.42
CCR8 P51685 1/20 0.42
MAPT P10636 2/20 0.42
CYP19A1 P11511 1/20 0.42
HPGDS O60760 1/20 0.40
ACHE P22303 1/20 0.39
NQO2 P16083 2/20 0.39
ATP4A P20648 2/20 0.39
ATP4B P51164 2/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
G6PD P11413 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL24916302 0.83 CCR1 (0.40) CCR1CCR5CCR8MAPTCYP19A1
SCHEMBL29923737 0.83 CCR1 (0.40) CCR1CCR5CCR8MAPTCYP19A1
SCHEMBL24715864 0.83 MAPT (0.44) CCR1CCR5CCR8MAPTHPGDS
SCHEMBL24715871 0.83 CCR1 (0.40) CCR1CCR5CCR8MAPTHPGDS
SCHEMBL24715886 0.83 NQO2 (0.47) CCR1CCR5CCR8MAPTHPGDS
SCHEMBL20928236 0.81 CCR1 (0.52) CCR1CCR5CCR8PKM
SCHEMBL24916213 0.80 ATP4A (0.43) CCR1CCR5CCR8MAPTHPGDS
SCHEMBL9394153 0.78 CA12 (0.46) CYP19A1HPGDSPDGFRBPDGFRALMNA
SCHEMBL10257047 0.75 CCR1 (0.48) CCR1CCR5CCR8MAPTACHE
SCHEMBL22326640 0.74 CCR1 (0.45) CCR1CCR5CCR8

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 CCR1 3508/4885CCR5 2856/4885CCR8 3793/4885

“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.