SCHEMBL17704385

SCHEMBL17704385

c1ccc(-c2cccc(-c3ccc4c(-c5ccnc(-c6ncco6)c5)c5ccccc5c(-c5ccnc(-c6ncco6)c5)c4c3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.41
HPGDS O60760 1/20 0.40
LTA4H P09960 1/20 0.39
PIM1 P11309 1/20 0.37
PIK3CA P42336 1/20 0.36
PRKDC P78527 1/20 0.35
USP30 Q70CQ3 1/20 0.35
FAAH O00519 2/20 0.33
ALK Q9UM73 1/20 0.33
ASIC3 Q9UHC3 1/20 0.33
SMO Q99835 2/20 0.33
BRD4 O60885 2/20 0.33
HPGD P15428 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32

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
SCHEMBL17704389 0.97 MCL1 (0.41) MCL1HPGDSLTA4HPIM1PIK3CA
SCHEMBL17704384 0.97 MCL1 (0.42) MCL1HPGDSLTA4HPIM1PIK3CA
SCHEMBL17704378 0.97 MCL1 (0.42) MCL1HPGDSLTA4HPIM1PIK3CA
SCHEMBL17704372 0.90 HPGDS (0.43) MCL1HPGDSLTA4HPIM1PIK3CA
SCHEMBL17704295 0.90 HPGDS (0.47) MCL1HPGDSLTA4HPIK3CAFAAH
SCHEMBL17704294 0.90 HPGDS (0.47) MCL1HPGDSLTA4HPIK3CAFAAH
SCHEMBL17704305 0.90 HPGDS (0.47) MCL1HPGDSLTA4HPIK3CAFAAH
SCHEMBL17704379 0.89 HPGDS (0.39) MCL1HPGDSLTA4HPIM1PIK3CA
SCHEMBL17704290 0.88 HPGDS (0.46) MCL1HPGDSLTA4HPIK3CAFAAH
SCHEMBL17704376 0.88 HPGDS (0.43) MCL1HPGDSLTA4HPIM1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC CORPORATION (JP) 2016-04-28 US disclosed
US-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC CORPORATION (JP) 2016-04-28 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-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME HVCN1, VDAC1, SLC26A3 MCL1 3753/4885HPGDS 4461/4885LTA4H 1673/4885

“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.