SCHEMBL3056820

SCHEMBL3056820

COc1cc(CN2CCc3cc(O)c(OC)cc3C2=O)cc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 5/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
MAOA P21397 2/20 0.43
DHCR7 Q9UBM7 1/20 0.43
PTGER4 P35408 1/20 0.42
PTGER2 P43116 1/20 0.42
TNIK Q9UKE5 1/20 0.42
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 2/20 0.42
ACHE P22303 1/20 0.41

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
SCHEMBL3059338 0.89 GAA (0.49) MEN1KMT2AMAOADHCR7ACHE
SCHEMBL3052820 0.89 ROCK2 (0.55) MEN1KMT2ADHCR7PTGER4PTGER2
SCHEMBL3052615 0.88 CA9 (0.59) MEN1KMT2ACA2CA9MAOA
SCHEMBL3171188 0.86 GRM5 (0.56) MEN1KMT2AMAOAACHE
SCHEMBL3055755 0.84 P2RX3 (0.47) WDR5MEN1KMT2ACA2CA9
SCHEMBL3054937 0.81 CA9 (0.54) MEN1KMT2ACA2CA9MAOA
SCHEMBL3058938 0.80 HDAC3 (0.47) MEN1KMT2AMAOA
SCHEMBL3051832 0.79 CHRNA7 (0.53) MEN1KMT2ATNIK
SCHEMBL3061473 0.79 ACHE (0.50) MEN1KMT2AMAOATNIKROCK2
SCHEMBL24886247 0.78 WDR5 (0.46) WDR5KMT2APTGER4PTGER2TNIK

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 WDR5 1862/4885MEN1 305/4885KMT2A 924/4885

“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.