SCHEMBL12857040

SCHEMBL12857040

COC(=O)c1ccc(CCl)cc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.61
CA1 P00915 3/20 0.61
CA2 P00918 3/20 0.61
CA7 P43166 3/20 0.61
CA9 Q16790 3/20 0.61
CA14 Q9ULX7 3/20 0.61
PDK2 Q15119 1/20 0.61
PDK4 Q16654 1/20 0.61
GAA P10253 4/20 0.57
MYC P01106 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
TSHR P16473 2/20 0.50
LMNA P02545 1/20 0.50
ALDH1A1 P00352 4/20 0.47
HPGD P15428 4/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 3/20 0.47
HSD17B10 Q99714 3/20 0.47
EGFR P00533 2/20 0.47
MEN1 O00255 2/20 0.47

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
SCHEMBL10809277 0.86 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL9582728 0.86 GAA (0.53) CA12CA1CA2CA7CA9
SCHEMBL17201140 0.86 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL1100762 0.84 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL27386396 0.84 SERPINE1 (0.43) CA12CA1CA2CA7CA9
SCHEMBL1165530 0.83 GAA (0.62) CA12CA1CA2CA7CA9
SCHEMBL5058622 0.83 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL7015377 0.83 ABL1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL7710910 0.83 MAPT (0.46) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL6292854 0.81 CA12 (0.59) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028715-A1 NOVEL ADENINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-02-03 US disclosed
US-20110028715-A1 NOVEL ADENINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-02-03 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-20110028715-A1 NOVEL ADENINE COMPOUND NR0B2, NR0B1, BRD7 CA12 4235/4885CA1 3998/4885CA2 2390/4885

“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.