SCHEMBL27405151

SCHEMBL27405151

CC(C)c1cccc(N2CC(C)(C)CC(C)(C)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.46
HRH3 Q9Y5N1 1/20 0.40
RXRA P19793 6/20 0.37
GRIN1 Q05586 6/20 0.37
GRIN2B Q13224 6/20 0.37
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
KCNH2 Q12809 1/20 0.35
CNR2 P34972 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MDM4 O15151 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
TYR P14679 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
SCHEMBL12074845 0.84 NOTUM (0.50) NOTUMHRH3RXRAGRIN1GRIN2B
SCHEMBL24781219 0.83 NOTUM (0.48) NOTUMHRH3RXRAGRIN1GRIN2B
SCHEMBL27405109 0.82 NOTUM (0.45) NOTUMHRH3RXRAGRIN1GRIN2B
SCHEMBL27405147 0.81 NOTUM (0.48) NOTUMHRH3ALDH1A1TP53CYP3A4
SCHEMBL27405104 0.80 NOTUM (0.49) NOTUMHRH3RXRAGRIN1GRIN2B
SCHEMBL16019525 0.78 NOTUM (0.56) NOTUMHRH3DRD2DRD3KCNH2
SCHEMBL14349225 0.75 NOTUM (0.54) NOTUMHRH3RXRAGRIN1GRIN2B
SCHEMBL3534359 0.75 NOTUM (0.54) NOTUMHRH3DRD2DRD3KCNH2
SCHEMBL16775753 0.75 NOTUM (0.45) NOTUMHRH3RXRAGRIN1GRIN2B
SCHEMBL12074842 0.74 NOTUM (0.47) NOTUMHRH3RXRAGRIN1GRIN2B

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-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 US disclosed
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 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-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF ITGB1, ITGA1, ITGAV NOTUM 3091/4885HRH3 2942/4885RXRA 949/4885

“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.