SCHEMBL9843771

SCHEMBL9843771

CCOC(=O)c1oc2c(Br)cccc2c1C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.50
PLK1 P53350 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
KDM4E B2RXH2 2/20 0.47
AHR P35869 1/20 0.47
MAPT P10636 3/20 0.46
NPC1 O15118 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL8082611 0.87 KDM4E (0.51) ALOX5PLK1KDM4EAHRMAPT
SCHEMBL4012106 0.84 ALOX5 (0.51) ALOX5PLK1CA12CA1CA2
SCHEMBL6838077 0.82 ALOX5 (0.51) ALOX5PLK1CA12CA1CA2
SCHEMBL20480309 0.80 KDM4E (0.48) ALOX5PLK1CA12CA1CA2
SCHEMBL11237854 0.77 CA12 (0.66) ALOX5CA12CA1CA2CA7
SCHEMBL6964091 0.77 KDM4E (0.71) PLK1KDM4EAHRMAPTNPC1
SCHEMBL4991500 0.76 AKR1B1 (0.54) ALOX5MAPTMEN1KMT2AGAA
SCHEMBL20480355 0.75 KDM4E (0.46) ALOX5CA12CA1CA2CA7
SCHEMBL2729055 0.74 MAOB (0.58) ALOX5PLK1CA12CA1CA2
SCHEMBL31107695 0.74 MAOB (0.58) ALOX5PLK1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428017-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use ABBVIE S.Á.R.L. (LU) 2019-10-01 US disclosed
US-20180244640-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use ABBVIE S.Á.R.L. (LU) 2018-08-30 US disclosed
WO-2018154493-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie S.à.r.l. (LU) 2018-08-30 WO disclosed
EP-0445073-A1 Benzofurans CIBA-GEIGY AG (CH) 1991-09-04 EP 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-10428017-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use CFTR, CLCN2, SCNN1G ALOX5 3614/4885PLK1 3989/4885CA12 4272/4885
US-20180244640-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use CFTR, CLCN2, SCNN1G ALOX5 3614/4885PLK1 3989/4885CA12 4272/4885

“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.