SCHEMBL17286565

SCHEMBL17286565

CC(C)CCCOc1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.53
DRD4 P21917 2/20 0.50
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50
RARB P10826 1/20 0.49
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 2/20 0.47
EPHX2 P34913 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAOB P27338 1/20 0.45
RECQL P46063 1/20 0.44
MAPT P10636 1/20 0.42

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
SCHEMBL7334158 0.94 RARB (0.56) TDP1DRD4DRD2DRD3RARB
SCHEMBL941201 0.90 TDP1 (0.66) TDP1DRD4DRD2DRD3KDM4E
SCHEMBL6852447 0.88 TDP1 (0.50) TDP1DRD4DRD2DRD3RARB
SCHEMBL4826829 0.84 RARB (0.50) TDP1DRD4DRD2DRD3RARB
SCHEMBL9145315 0.83 KDM4E (0.50) TDP1DRD4DRD2DRD3KDM4E
SCHEMBL9146738 0.83 KDM4E (0.50) TDP1DRD4DRD2DRD3KDM4E
SCHEMBL24482993 0.82 NQO1 (0.58) TDP1RARBKDM4EALDH1A1MAPK1
SCHEMBL13251251 0.82 MEN1 (0.57) TDP1DRD4DRD2DRD3RARB
SCHEMBL13251236 0.82 TDP1 (0.55) TDP1DRD4DRD2DRD3RARB
SCHEMBL17445905 0.80 ATM (0.60) TDP1DRD4DRD2DRD3KDM4E

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 TDP1 1486/4885DRD4 3616/4885DRD2 3586/4885

“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.