SCHEMBL3046385

SCHEMBL3046385

COc1cc2c(cc1O)CCCN(Cc1ccccc1OC)C2

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 16/20 0.62
DRD2 P14416 16/20 0.62
DRD4 P21917 9/20 0.62
TMEM97 Q5BJF2 8/20 0.62
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
DRD1 P21728 1/20 0.55
KDM4E B2RXH2 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ABCB1 P08183 1/20 0.53

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
SCHEMBL3049243 0.93 DRD3 (0.70) DRD3DRD2DRD4TMEM97CA2
SCHEMBL3174390 0.87 CA2 (0.63) DRD3DRD2DRD4TMEM97CA2
SCHEMBL3046470 0.86 DRD2 (0.69) DRD3DRD2DRD4TMEM97CA2
SCHEMBL3049241 0.82 DRD3 (0.71) DRD3DRD2DRD4TMEM97CA2
SCHEMBL3059029 0.82 REV1 (0.62) TMEM97ABCB1
SCHEMBL3064376 0.81 ABCB1 (0.67) DRD3DRD2DRD4TMEM97CA2
SCHEMBL3054533 0.81 DHCR7 (0.70) DRD3DRD2DRD4TMEM97CA2
SCHEMBL3049007 0.80 CA9 (0.86) CA2CA9KDM4ETDP1ABCB1
SCHEMBL3051392 0.79 CA2 (0.73) DRD3DRD2DRD4TMEM97CA2
SCHEMBL3506177 0.79 CA2 (0.73) DRD3DRD2DRD4TMEM97CA2

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-8394825-B2 Compound STERIX LIMITED (GB) 2013-03-12 US disclosed
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 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-20100222299-A1 COMPOUND MKI67, VHL, MYC DRD3 3408/4885DRD2 2317/4885DRD4 1675/4885

“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.