SCHEMBL13100565

SCHEMBL13100565

CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(N)cc3)ccc2-c2ccc(-c3ccc(Br)cc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.39
CNR2 P34972 5/20 0.39
PDK2 Q15119 1/20 0.36
CYP19A1 P11511 6/20 0.34
MAPK1 P28482 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TDP2 O95551 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL27177388 0.93 NPC1 (0.36) CNR1CNR2MAPK1TDP2L3MBTL1
SCHEMBL10013961 0.93 NPC1 (0.36) CNR1CNR2MAPK1TDP2L3MBTL1
SCHEMBL12379624 0.93 NPC1 (0.36) CNR1CNR2MAPK1TDP2L3MBTL1
SCHEMBL11887578 0.93 NPC1 (0.36) CNR1CNR2MAPK1TDP2L3MBTL1
SCHEMBL14289888 0.88 PDK2 (0.37) CNR1CNR2PDK2MAPK1ALDH1A1
SCHEMBL2000265 0.88 RAB9A (0.35) CNR1CNR2PDK2MAPK1L3MBTL1
SCHEMBL22749433 0.88 RAB9A (0.35) CNR1CNR2PDK2MAPK1L3MBTL1
SCHEMBL13480894 0.88 RAB9A (0.35) CNR1CNR2PDK2MAPK1L3MBTL1
SCHEMBL13109047 0.87 CNR2 (0.39) CNR1CNR2PDK2CYP19A1ALDH1A1
SCHEMBL20979466 0.87 NPC1 (0.33) CNR1CNR2MAPK1TDP2L3MBTL1

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-20100252819-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-10-07 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-20100252819-A1 ELECTROACTIVE MATERIALS HCN2, HCN4, HCN3 CNR1 715/4885CNR2 576/4885PDK2 2403/4885

“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.