SCHEMBL15622643

SCHEMBL15622643

CCOC(=O)c1[nH]c2c(C)c(Cl)ccc2c1CCCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.47
HTR6 P50406 2/20 0.46
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
HTR1F P30939 1/20 0.46
HTR7 P34969 1/20 0.46
DRD3 P35462 1/20 0.46
MAPT P10636 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALOX15 P16050 8/20 0.41
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL24773669 0.89 MCL1 (0.50) MCL1HTR6HTR1ADRD2DRD4
SCHEMBL15622553 0.88 HTR6 (0.44) MCL1HTR6HTR1ADRD2DRD4
SCHEMBL30080103 0.88 HTR6 (0.44) MCL1HTR6HTR1ADRD2DRD4
SCHEMBL15622132 0.87 MAPK1 (0.46) MCL1HTR6HTR1ADRD2DRD4
SCHEMBL15622817 0.85 HTR6 (0.46) MCL1HTR6HTR1ADRD2DRD4
SCHEMBL28265675 0.85 HTR6 (0.51) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL4042141 0.83 MAPT (0.49) MAPTMEN1KMT2AALOX15ALDH1A1
SCHEMBL15622338 0.82 MCL1 (0.70) MCL1
SCHEMBL19635845 0.81 HTR6 (0.46) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL22436719 0.80 HTR6 (0.46) HTR6HTR1ADRD2DRD4HTR1D

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
US-10844032-B2 Substituted benzofuran, benzothiophene and indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2020-11-24 US disclosed
US-20180312485-A1 SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2018-11-01 US disclosed
US-10093640-B2 Substituted benzofuran, benzothiophene and indole MCL-1 inhibitors VANDERBILT UNIVERSITY (US) 2018-10-09 US disclosed
US-20150336925-A1 SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY (US) 2015-11-26 US disclosed
WO-2014047427-A2 SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY (US) 2014-03-27 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 (4 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-20180312485-A1 SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCLAF1 MCL1 1/4885HTR6 1054/4885HTR1A 1279/4885
US-20150336925-A1 SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCLAF1 MCL1 1/4885HTR6 1054/4885HTR1A 1279/4885
US-10093640-B2 Substituted benzofuran, benzothiophene and indole MCL-1 inhibitors MCL1, BCL2L1, BCLAF1 MCL1 1/4885HTR6 1054/4885HTR1A 1279/4885
US-10844032-B2 Substituted benzofuran, benzothiophene and indole Mcl-1 inhibitors MCL1, BCL2L1, BCLAF1 MCL1 1/4885HTR6 1054/4885HTR1A 1279/4885

“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.