SCHEMBL23590100

SCHEMBL23590100

CCOC(=O)c1ccc(B(O)OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.58
CA2 P00918 3/20 0.58
CA12 O43570 2/20 0.58
CA7 P43166 2/20 0.58
CA9 Q16790 2/20 0.58
CA14 Q9ULX7 2/20 0.58
ESR1 P03372 1/20 0.58
ESR2 Q92731 1/20 0.58
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAOA P21397 1/20 0.56
HPGD P15428 4/20 0.50
HTT P42858 2/20 0.50
RAB9A P51151 2/20 0.49
HSD17B2 P37059 1/20 0.47
RECQL P46063 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HSP90AA1 P07900 1/20 0.47
CACNA1B Q00975 1/20 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
SCHEMBL1993193 0.86 CA1 (0.58) CA1CA2CA12CA7CA9
SCHEMBL1993190 0.84 CA1 (0.59) CA1CA2CA12CA7CA9
SCHEMBL5122 0.84 CA1 (0.63) CA1CA2CA12CA7CA9
SCHEMBL87450 0.81 CA1 (0.83) CA1CA2CA12CA7CA9
SCHEMBL1993453 0.81 CA1 (0.51) CA1CA2CA12CA7CA9
SCHEMBL22960549 0.81 CYP4F2 (0.50) CA1CA2CA12CA7CA9
SCHEMBL1997852 0.80 CA1 (0.50) CA1CA2CA12CA7CA9
SCHEMBL21440358 0.79 CA1 (0.79) CA1CA2CA12CA7CA9
SCHEMBL7746905 0.79 CA1 (0.79) CA1CA2CA12CA7CA9
SCHEMBL29504635 0.79 CA1 (0.79) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210198256-A1 COMPOUNDS FOR THE DEGRADATION OF BRD9 OR MTH1 C4 THERAPEUTICS, INC. (US) 2021-07-01 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-20210198256-A1 COMPOUNDS FOR THE DEGRADATION OF BRD9 OR MTH1 RBBP9, MTHFD1, BRWD1 CA1 4582/4885CA2 4828/4885CA12 4811/4885

“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.