SCHEMBL4168917

SCHEMBL4168917

CCOC(=O)c1[nH]c2c(-c3ccccc3OC)cccc2c1CCCO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 8/20 0.51
MAPT P10636 4/20 0.48
ALDH1A1 P00352 4/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HTR6 P50406 2/20 0.48
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
HTR1F P30939 1/20 0.48
HTR7 P34969 1/20 0.48
DRD3 P35462 1/20 0.48
PTGES O14684 1/20 0.48
ALOX5 P09917 1/20 0.48
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45

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
SCHEMBL4158415 0.86 MCL1 (0.54) MCL1MAPTALDH1A1NPSR1HTR6
SCHEMBL4158610 0.84 MCL1 (0.55) MCL1MAPTALDH1A1NPSR1HTR6
SCHEMBL4158828 0.81 CYP4F2 (0.44) MCL1MAPTALDH1A1NPSR1HTR6
SCHEMBL4175362 0.80 HTR6 (0.51) MCL1MAPTALDH1A1NPSR1HTR6
SCHEMBL28265675 0.80 HTR6 (0.51) MAPTALDH1A1NPSR1HTR6HTR1A
SCHEMBL4154568 0.79 HTR6 (0.50) MCL1MAPTALDH1A1NPSR1HTR6
SCHEMBL4157494 0.78 HTR6 (0.49) MCL1MAPTALDH1A1NPSR1HTR6
SCHEMBL2204865 0.77 HTR6 (0.76) MCL1MAPTALDH1A1NPSR1HTR6
SCHEMBL19635148 0.75 MCL1 (0.50) MCL1MAPTALDH1A1NPSR1MARK3
SCHEMBL4164463 0.75 MCL1 (0.85) MCL1CDC7MARK3AXLFRK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3243814-B1 7-SUBSTITUTED INDOLE AS MCL-1 INHIBITORS ABBVIE INC (US) 2018-10-17 EP disclosed
EP-3243814-A1 7-SUBSTITUTED INDOLE AS MCL-1 INHIBITORS AbbVie Inc. (US) 2017-11-15 EP disclosed
EP-2134684-B1 7-SUBSTITUTED INDOLE AS MCL-1 INHIBITORS ABBVIE INC (US) 2017-08-02 EP disclosed
US-9359296-B2 7-substituted indole Mcl-1 inhibitors ABBVIE INC. (US) 2016-06-07 US disclosed
US-20150284328-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBVIE INC (US) 2015-10-08 US disclosed
US-9035047-B2 7-substituted indole Mcl-1 inhibitors ABBVIE INC. (US) 2015-05-19 US disclosed
US-20140051683-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBVIE INC. (US) 2014-02-20 US disclosed
US-8445679-B2 7-substituted indole MCL-1 inhibitors ABBVIE INC. (US) 2013-05-21 US disclosed
CN-101743224-A 7-substituted indole mcl-1 inhibitors ABBOTT LAB 2010-06-16 CN disclosed
EP-2134684-A2 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS Abbott Laboratories (US) 2009-12-23 EP disclosed
US-20090054402-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2009-02-26 US disclosed
WO-2008131000-A2 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2008-10-30 WO 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 (3 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-20140051683-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 MCL1 1/4885MAPT 3221/4885ALDH1A1 2525/4885
US-20150284328-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 MCL1 1/4885MAPT 3221/4885ALDH1A1 2525/4885
US-20090054402-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 MCL1 1/4885MAPT 3221/4885ALDH1A1 2525/4885

“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.