SCHEMBL3045927

SCHEMBL3045927

CCOc1cc(CN2CCc3cc(O)ccc3C2)cc(OCC)c1OCC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 3/20 0.71
KDM4E B2RXH2 3/20 0.51
MAPT P10636 2/20 0.51
GAA P10253 1/20 0.51
RAB9A P51151 1/20 0.51
ABCB1 P08183 6/20 0.50
ABCC1 P33527 3/20 0.50
CA2 P00918 2/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
TAAR1 Q96RJ0 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
ACACB O00763 2/20 0.45
LTA4H P09960 1/20 0.44
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44

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
SCHEMBL3051638 0.88 CA9 (0.64) CA9KDM4EMAPTGAARAB9A
SCHEMBL3058998 0.80 L3MBTL1 (0.59) CA9KDM4EMAPTRAB9AABCB1
SCHEMBL3049161 0.78 CA9 (0.78) CA9KDM4EMAPTGAARAB9A
SCHEMBL3041525 0.78 CA9 (0.73) CA9KDM4EMAPTGAARAB9A
SCHEMBL3058943 0.77 SMN1; SMN2 (0.58) CA9KDM4EMAPTGAARAB9A
SCHEMBL3054852 0.75 CA9 (0.62) CA9ABCB1ABCC1ABCG2LTA4H
SCHEMBL3061384 0.75 CA9 (0.70) CA9KDM4EMAPTABCB1ABCC1
SCHEMBL3052219 0.74 CA9 (0.84) CA9KDM4EMAPTGAARAB9A
SCHEMBL5450030 0.73 CA9 (0.59) CA9KDM4EMAPTGAARAB9A
SCHEMBL3059218 0.72 SIGMAR1 (0.66) CA9KDM4EMAPTABCB1ABCC1

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-8394825-B2 Compound STERIX LIMITED (GB) 2013-03-12 US disclosed
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 US disclosed
CN-101677993-A Compound (I) STERIX LTD 2010-03-24 CN 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 1002/4885KDM4E 1083/4885MAPT 4349/4885

“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.