SCHEMBL27405147

SCHEMBL27405147

CC(C)c1cccc(N2CCCC(C)(C)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.48
CYP3A4 P08684 10/20 0.41
USP2 O75604 8/20 0.41
CYP2C19 P33261 8/20 0.41
CYP1A2 P05177 7/20 0.41
CYP2C9 P11712 7/20 0.41
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 4/20 0.41
CYP2D6 P10635 4/20 0.41
TSHR P16473 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HRH3 Q9Y5N1 1/20 0.39
TP53 P04637 1/20 0.39
ADAM10 O14672 1/20 0.39
RECQL P46063 1/20 0.38
HIF1A Q16665 2/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
MAPK1 P28482 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
SCHEMBL12074845 0.91 NOTUM (0.50) NOTUMCYP3A4USP2CYP2C19CYP1A2
SCHEMBL27408091 0.86 CYP3A4 (0.38) NOTUMCYP3A4USP2CYP2C19CYP1A2
SCHEMBL27405151 0.81 NOTUM (0.46) NOTUMCYP3A4ALDH1A1TSHRHRH3
SCHEMBL27405104 0.81 NOTUM (0.49) NOTUMCYP3A4USP2CYP2C19CYP1A2
SCHEMBL3534359 0.81 NOTUM (0.54) NOTUMALDH1A1HSD17B10TSHRMEN1
SCHEMBL14349225 0.81 NOTUM (0.54) NOTUMALDH1A1HSD17B10TSHRMEN1
SCHEMBL16775753 0.79 NOTUM (0.45) NOTUMCYP3A4USP2CYP2C19CYP1A2
SCHEMBL4547919 0.79 NOTUM (0.52) NOTUMUSP2ALDH1A1HSD17B10TSHR
SCHEMBL12074842 0.79 NOTUM (0.47) NOTUMCYP3A4USP2CYP2C19CYP1A2
SCHEMBL16019525 0.77 NOTUM (0.56) NOTUMALDH1A1TSHRHRH3ADAM10

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 3091/4885CYP3A4 2981/4885USP2 4231/4885

“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.