SCHEMBL6607849

SCHEMBL6607849

CCOC(=O)c1ccc(Br)cc1COC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRB2 P47870 1/20 0.47
LMNA P02545 3/20 0.45
PDE3B Q13370 3/20 0.45
PDE3A Q14432 3/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 2/20 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
SCHEMBL14321044 0.86 ALDH1A1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL5238335 0.83 SMN1; SMN2 (0.51) CA12CA1CA2CA7CA9
SCHEMBL21617589 0.82 ALDH1A1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL1703506 0.82 ALDH1A1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL14157079 0.81 ALDH1A1 (0.49) CA12CA1CA2CA7CA9
SCHEMBL21713935 0.80 FFAR4 (0.44) CA2ALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL234030 0.79 TSHR (0.60) CA12CA1CA2CA7CA9
SCHEMBL27444525 0.78 TSHR (0.55) CA12CA1CA2CA7CA9
SCHEMBL8158480 0.78 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL5273471 0.78 ALDH1A1 (0.55) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1110961-B1 OXYGENIC HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2004-07-14 EP disclosed
US-6376535-B2 PHOSPHODIESTERASE (PDE) INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-04-23 US disclosed
US-20010056117-A1 Oxygen-containing heterocyclic compounds KYOWA HAKKO KIRIN CO., LTD. (JP) 2001-12-27 US disclosed
EP-1110961-A1 OXYGENIC HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-06-27 EP 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-20010056117-A1 Oxygen-containing heterocyclic compounds CBR1, CBR3, MT-CO1 CA12 540/4885CA1 626/4885CA2 114/4885

“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.