SCHEMBL3054937

SCHEMBL3054937

COc1cc2c(cc1O)CCCN(Cc1cc(OC)c(OC)c(OC)c1)C2=O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.54
CA2 P00918 1/20 0.54
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAOA P21397 2/20 0.41
HTR1A P08908 2/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD1 P21728 1/20 0.40
HTR7 P34969 1/20 0.40
HTR2B P41595 1/20 0.40
HTR5A P47898 1/20 0.40
HTR6 P50406 1/20 0.40

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
SCHEMBL3052615 0.93 CA9 (0.59) CA9CA2POLBKDM4EMAOA
SCHEMBL3061473 0.86 ACHE (0.50) MAOAHTR1ADRD4DRD3MEN1
SCHEMBL3055589 0.85 CA2 (0.44) CA9CA2POLBKDM4EHTR1A
SCHEMBL3056820 0.81 WDR5 (0.46) CA9CA2MAOAMEN1KMT2A
SCHEMBL3055557 0.80 HTR1A (0.50) HTR1ADRD4DRD3MEN1KMT2A
SCHEMBL3171188 0.79 GRM5 (0.56) KDM4EMAOAMEN1KMT2A
SCHEMBL3059338 0.78 GAA (0.49) POLBKDM4EMAOADRD4DRD3
SCHEMBL3052238 0.78 CA9 (0.47) CA9CA2KDM4EMEN1KMT2A
SCHEMBL6999621 0.76 KDM4E (0.55) POLBKDM4EMEN1KMT2A
SCHEMBL3052820 0.76 ROCK2 (0.55) DRD4DRD3MEN1KMT2A

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 CA9 1002/4885CA2 1077/4885POLB 3243/4885

“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.