SCHEMBL17286558

SCHEMBL17286558

Cc1cccc(OCCCC(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.56
DRD2 P14416 2/20 0.55
DRD4 P21917 2/20 0.55
DRD3 P35462 1/20 0.54
KDM4E B2RXH2 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HSD17B10 Q99714 2/20 0.50
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
F2 P00734 1/20 0.48
RAB9A P51151 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ACHE P22303 1/20 0.47

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
SCHEMBL12746097 0.95 SMN1; SMN2 (0.55) SMN1; SMN2DRD2DRD4DRD3KDM4E
SCHEMBL7144506 0.91 SMN1; SMN2 (0.54) SMN1; SMN2DRD2DRD4DRD3KDM4E
SCHEMBL29690388 0.91 SMN1; SMN2 (0.54) SMN1; SMN2DRD2DRD4DRD3KDM4E
SCHEMBL19806820 0.89 MAPK1 (0.50) SMN1; SMN2KDM4EL3MBTL1KMT2ANPSR1
SCHEMBL29083526 0.85 DRD2 (0.61) SMN1; SMN2DRD2DRD4DRD3KDM4E
SCHEMBL11674802 0.85 DRD2 (0.66) SMN1; SMN2DRD2DRD4DRD3KDM4E
SCHEMBL17138218 0.83 RARB (0.49) SMN1; SMN2KDM4EL3MBTL1HSD17B10KMT2A
SCHEMBL10798638 0.83 DRD2 (0.64) SMN1; SMN2DRD2DRD4DRD3KDM4E
SCHEMBL29381067 0.82 DRD2 (0.62) SMN1; SMN2DRD2DRD4DRD3KDM4E
SCHEMBL27465 0.82 DRD2 (0.62) SMN1; SMN2DRD2DRD4DRD3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150336925-A1 SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY (US) 2015-11-26 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 (1 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-20150336925-A1 SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCLAF1 SMN1; SMN2 2273/4885DRD2 3586/4885DRD4 3616/4885

“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.