SCHEMBL20150639

SCHEMBL20150639

Brc1cccc2c([SiH2]c3ccccc3)cccc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PARP1 P09874 1/20 0.36
BACE1 P56817 1/20 0.32
AHR P35869 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
PLAU P00749 1/20 0.31
PNMT P11086 1/20 0.31
FABP4 P15090 1/20 0.31
FABP5 Q01469 1/20 0.31
BBOX1 O75936 1/20 0.30
EHMT2 Q96KQ7 1/20 0.30
EHMT1 Q9H9B1 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL711370 0.77 ALDH1A1 (0.42) ALDH1A1
SCHEMBL28967063 0.74 HPRT1 (0.54) MEN1KMT2AAHRALDH1A1MAPK1
SCHEMBL29375428 0.72 PARP1 (0.54) PRNPMEN1KMT2APARP1BACE1
SCHEMBL1489217 0.72 PARP1 (0.54) PRNPMEN1KMT2APARP1BACE1
SCHEMBL706717 0.70
SCHEMBL1248415 0.67 PARP1 (0.50) PRNPMEN1KMT2APARP1BACE1
SCHEMBL29429114 0.67 RXFP1 (0.48) PRNPMEN1KMT2APARP1ALDH1A1
SCHEMBL30710586 0.67 RXFP1 (0.48) PRNPMEN1KMT2APARP1ALDH1A1
SCHEMBL198796 0.67 RXFP1 (0.48) PRNPMEN1KMT2APARP1ALDH1A1
Benzene SCHEMBL28694599 0.66 ALDH1A1 (0.50) PRNPMEN1KMT2ABACE1ALDH1A1

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-20180134732-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-05-17 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-20180134732-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME ODC1, KCNC1, KCNH1 PRNP 4842/4885MEN1 241/4885KMT2A 1186/4885

“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.