SCHEMBL2203033

SCHEMBL2203033

CCOC(=O)c1[nH]c2ccc(Br)cc2c1CCCOc1cccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 16/20 0.61
BCL2 P10415 2/20 0.60
ALB P02768 1/20 0.60
BCL2L1 Q07817 1/20 0.54
HTR6 P50406 2/20 0.51
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
HTR1F P30939 1/20 0.49
HTR7 P34969 1/20 0.49
DRD3 P35462 1/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL2205926 0.97 MCL1 (0.58) MCL1BCL2ALBBCL2L1HTR6
SCHEMBL2204455 0.92 MCL1 (0.71) MCL1BCL2ALBBCL2L1HTR6
SCHEMBL30679056 0.89 MCL1 (0.76) MCL1BCL2ALBBCL2L1HTR6
SCHEMBL2202505 0.89 MCL1 (0.76) MCL1BCL2ALBBCL2L1HTR6
SCHEMBL15622240 0.89 MCL1 (0.71) MCL1BCL2ALBBCL2L1HTR6
SCHEMBL2203925 0.88 MCL1 (0.78) MCL1BCL2ALBBCL2L1
SCHEMBL2208914 0.85 MCL1 (0.73) MCL1BCL2ALBBCL2L1NPSR1
SCHEMBL15622375 0.84 MCL1 (0.70) MCL1BCL2ALBBCL2L1HTR6
SCHEMBL2205551 0.83 MCL1 (0.71) MCL1BCL2ALBBCL2L1HTR6
SCHEMBL4165286 0.83 MCL1 (0.60) MCL1BCL2ALBBCL2L1HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134685-B1 7-NONSUBSTITUTED INDOLE DERIVATIVES AS MCL-1 INHIBITORS ABBVIE INC (US) 2015-09-02 EP disclosed
US-8853209-B2 1-oxyalkyl-2-carboxy-7-nonsubstituted indole derivatives ABBVIE INC. (US) 2014-10-07 US disclosed
US-20110263599-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES 2011-10-27 US disclosed
US-7981888-B2 1-oxyalkyl-2-carboxyl-7-nonsubstituted indole derivatives ABBOTT LABORATORIES (US) 2011-07-19 US disclosed
US-20090124616-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2009-05-14 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 (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-20090124616-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 MCL1 1/4885BCL2 15/4885ALB 3611/4885
US-20110263599-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 MCL1 1/4885BCL2 15/4885ALB 3611/4885

“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.