SCHEMBL21175019

SCHEMBL21175019

CCOC(=O)c1ccc(CCC(C)[Zn]Br)cc1

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
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
LMNA P02545 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAOA P21397 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PTPN1 P18031 1/20 0.44
KCNJ1 P48048 1/20 0.43
KCNH2 Q12809 1/20 0.43
HTT P42858 4/20 0.43
HPGD P15428 3/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43

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
SCHEMBL16982005 0.83 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL10521826 0.82 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL5962512 0.80 SMN1; SMN2 (0.56) CA12CA1CA2CA7CA9
SCHEMBL27941680 0.79 CA12 (0.51) CA12CA1CA2CA7CA9
Bromide SCHEMBL21175020 0.79 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL7768813 0.79 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL12199135 0.79 CA1 (0.68) CA12CA1CA2CA7CA9
SCHEMBL22749420 0.78 CA1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL7763636 0.78 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL348611 0.77 CA1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190225629-A1 METHOD FOR PREPARING SILAHYDROCARBONS UNIVERSITY OF DELAWARE (US) 2019-07-25 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-20190225629-A1 METHOD FOR PREPARING SILAHYDROCARBONS MCM6, CCNY, RIOX2 CA12 595/4885CA1 1682/4885CA2 3089/4885

“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.