SCHEMBL3052647

SCHEMBL3052647

COc1cc2c(cc1O)CCN(C(=O)c1ccc(OC)c(OC)c1)C2=O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.75
CA9 Q16790 1/20 0.75
MAPK1 P28482 1/20 0.52
PDE4B Q07343 4/20 0.51
PDE4D Q08499 3/20 0.51
PDE4A P27815 1/20 0.51
PDE4C Q08493 1/20 0.51
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.44
CYP2C19 P33261 1/20 0.44
THRB P10828 1/20 0.43
MAPT P10636 1/20 0.43
ROCK2 O75116 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42

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
SCHEMBL3057016 0.88 CA2 (0.60) CA2CA9PDE4BPDE4DALDH1A1
SCHEMBL3050834 0.87 CA2 (0.58) CA2CA9ALDH1A1MEN1KMT2A
SCHEMBL3046541 0.86 CA2 (0.78) CA2CA9MAPK1PDE4BPDE4D
SCHEMBL3051291 0.85 CA2 (0.57) CA2CA9PDE4BALDH1A1KMT2A
SCHEMBL3054860 0.85 CA2 (0.55) CA2CA9ALDH1A1MEN1KMT2A
SCHEMBL3050147 0.84 CA2 (0.56) CA2CA9ALDH1A1MEN1KMT2A
SCHEMBL3051154 0.82 CA2 (0.53) CA2CA9MEN1KMT2AMAPT
SCHEMBL3061743 0.81 ALDH1A1 (0.59) CA2CA9PDE4BALDH1A1MEN1
SCHEMBL3048192 0.81 CA2 (0.65) CA2CA9MAPK1PDE4BPDE4D
SCHEMBL3048411 0.76 MAPK1 (0.88) CA2CA9MAPK1PDE4BPDE4D

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 US claimed
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 CA2 1077/4885CA9 1002/4885MAPK1 3252/4885

“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.