SCHEMBL24915645

SCHEMBL24915645

COc1cc(C)c2nccc(C(C)C)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.44
CASP6 P55212 2/20 0.44
CYP3A4 P08684 7/20 0.38
PDE10A Q9Y233 6/20 0.38
RAD52 P43351 1/20 0.38
CASP7 P55210 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
CCR1 P32246 2/20 0.37
CCR5 P51681 2/20 0.37
CCR8 P51685 2/20 0.37
CRHR1 P34998 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
DYRK1A Q13627 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
P2RX3 P56373 3/20 0.35
P2RX2 Q9UBL9 3/20 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
SCHEMBL24916219 0.84 PDE10A (0.41) NSD2CASP6CYP3A4PDE10AHSP90AA1
SCHEMBL24916430 0.81 NSD2 (0.39) NSD2CASP6RAD52CASP7HSP90AA1
SCHEMBL24916365 0.80 NSD2 (0.39) NSD2CASP6PDE10ARAD52CASP7
SCHEMBL24916429 0.80 NSD2 (0.39) NSD2CASP6RAD52CASP7HSP90AA1
SCHEMBL24916425 0.80 P2RX3 (0.37) NSD2CASP6HSP90AA1HSP90AB1CCR1
SCHEMBL24915853 0.79 LMNA (0.50) P2RX3P2RX2
SCHEMBL24915600 0.78 P2RX3 (0.40) NSD2CASP6P2RX3P2RX2
SCHEMBL17502532 0.78 NSD2 (0.40) NSD2CASP6CYP3A4PDE10ARAD52
SCHEMBL29828708 0.78 TLR8 (0.42) NSD2CASP6CYP3A4PDE10ARAD52
SCHEMBL27032806 0.78 TLR8 (0.42) NSD2CASP6CYP3A4PDE10ARAD52

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 NSD2 705/4885CASP6 2293/4885CYP3A4 4489/4885

“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.