SCHEMBL21974802

SCHEMBL21974802

O=C1CCc2cc(B(O)O)ccc2C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.48
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
CYP2C19 P33261 2/20 0.43
STS P08842 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ENPP2 Q13822 4/20 0.34
PBRM1 Q86U86 1/20 0.32
TTR P02766 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MGLL Q99685 1/20 0.31

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
SCHEMBL12759201 0.82 CA2 (0.43) CA1CA2ENPP2TTRKDM4E
SCHEMBL20968620 0.78 CA2 (0.34) CA1CA2ENPP2TTRKDM4E
SCHEMBL266510 0.75 CYP2A6 (0.54) CYP2A6CYP1A2CYP3A4CYP2C9CYP11B1
SCHEMBL4027923 0.74 ADRA2A (0.42) STSCA1CA2ENPP2TTR
SCHEMBL442154 0.74 ALDH1A1 (0.45) CA1CA2ENPP2TTR
SCHEMBL29956883 0.74 ALDH1A1 (0.45) CA1CA2ENPP2TTR
SCHEMBL28586692 0.72 PBRM1 (0.58) CYP2A6CA1CA2ENPP2PBRM1
SCHEMBL1891425 0.72 CASP1 (0.53) CYP1A2CYP11B1CYP11B2PBRM1
SCHEMBL3101723 0.71 NPC1 (0.42) CA1CA2ENPP2TTRKDM4E
SCHEMBL1701852 0.71 CYP2A6 (0.54) CYP2A6CYP1A2CYP3A4CYP2C9CYP11B1

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-20210371410-A1 PROCESS FOR PREPARING ALECTINIB OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF FRESENIUS KABI ONCOLOGY LIMITED (IN) 2021-12-02 US disclosed
US-20200140427-A1 A PROCESS FOR PREPARING ALECTINIB OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF FRESENIUS KABI ONCOLOGY LIMITED (IN) 2020-05-07 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 (2 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-20200140427-A1 A PROCESS FOR PREPARING ALECTINIB OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PLEC, FCGR3B, SF3B5 CYP2A6 741/4885CYP1A2 1474/4885CYP3A4 232/4885
US-20210371410-A1 PROCESS FOR PREPARING ALECTINIB OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PLEC, SF3B5, FCGR3B CYP2A6 612/4885CYP1A2 1390/4885CYP3A4 152/4885

“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.