SCHEMBL1615670

SCHEMBL1615670

CCOC(=O)c1ccc(Br)cc1.[Zn]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.66
CA2 P00918 3/20 0.66
CA12 O43570 2/20 0.66
CA7 P43166 2/20 0.66
CA9 Q16790 2/20 0.66
CA14 Q9ULX7 2/20 0.66
ESR1 P03372 1/20 0.66
ESR2 Q92731 1/20 0.66
LMNA P02545 2/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
MAOA P21397 1/20 0.63
NHERF1 O14745 1/20 0.63
HPGD P15428 6/20 0.56
HTT P42858 3/20 0.56
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
ALDH1A1 P00352 2/20 0.53
RECQL P46063 1/20 0.53
HSP90AA1 P07900 1/20 0.53

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
SCHEMBL274513 0.98 CA1 (0.68) CA1CA2CA12CA7CA9
SCHEMBL2989285 0.96 CA12 (0.66) CA1CA2CA12CA7CA9
SCHEMBL6705884 0.92 CA12 (0.61) CA1CA2CA12CA7CA9
SCHEMBL2270040 0.92 CA12 (0.61) CA1CA2CA12CA7CA9
Boric Acid SCHEMBL28174370 0.92 CA12 (0.61) CA1CA2CA12CA7CA9
SCHEMBL9805589 0.91 NHERF1 (0.62) CA1CA2CA12CA7CA9
SCHEMBL9678906 0.88 CA12 (0.56) CA1CA2CA12CA7CA9
SCHEMBL9678915 0.88 CA12 (0.56) CA1CA2CA12CA7CA9
SCHEMBL8266243 0.88 NHERF1 (0.68) CA1CA2CA12CA7CA9
SCHEMBL87450 0.87 CA1 (0.83) 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-20110084230-A1 Process for Synthesizing Organoelemental Compounds LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE) 2011-04-14 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-20110084230-A1 Process for Synthesizing Organoelemental Compounds CHRM1, CHRM2, MLX CA1 22/4885CA2 396/4885CA12 50/4885

“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.