SCHEMBL18347142

SCHEMBL18347142

Cc1ccc2c(c1)C1(c3ccccc3CCc3ccccc31)c1cc(Br)ccc1-2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDK2 Q15119 3/20 0.40
HSD17B3 P37058 3/20 0.36
KDM1A O60341 2/20 0.35
BACE1 P56817 2/20 0.35
APP P05067 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
PTPRC P08575 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
KDM1B Q8NB78 1/20 0.33
PARP1 P09874 1/20 0.33

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
SCHEMBL16879344 0.91 TDP1 (0.49) TDP1L3MBTL1PDK2HSD17B3KDM1A
SCHEMBL16878998 0.88 TDP1 (0.50) TDP1L3MBTL1PDK2HSD17B3KDM1A
SCHEMBL14831134 0.86 PDK2 (0.49) TDP1L3MBTL1PDK2ALDH1A1MAPK1
SCHEMBL23989351 0.86 PDK2 (0.49) TDP1L3MBTL1PDK2ALDH1A1MAPK1
SCHEMBL18347143 0.85 TDP1 (0.45) TDP1L3MBTL1PDK2HSD17B3KDM1A
SCHEMBL16656146 0.84 ALDH1A1 (0.42) PDK2ALDH1A1MAPK1PTPRCMAOA
SCHEMBL17533935 0.81 PDK2 (0.46) TDP1L3MBTL1PDK2ALDH1A1PTPRC
SCHEMBL14208142 0.80 PDK2 (0.50) TDP1L3MBTL1PDK2ALDH1A1MAPK1
SCHEMBL15316154 0.79 BACE1 (0.35) TDP1L3MBTL1PDK2HSD17B3KDM1A
SCHEMBL19164108 0.79 PDK2 (0.49) TDP1L3MBTL1PDK2ALDH1A1MAPK1

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-20160380203-A1 DIBENZOSUBERANE-BASED ELECTRON-TRANSPORT MATERIALS JENEKHE SAMSON A (US) 2016-12-29 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-20160380203-A1 DIBENZOSUBERANE-BASED ELECTRON-TRANSPORT MATERIALS SLC6A12, SLC19A2, ABCB7 TDP1 1717/4885L3MBTL1 3058/4885PDK2 813/4885

“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.