SCHEMBL17704384

SCHEMBL17704384

c1ccc(-c2ccc(-c3ccc4c(-c5ccnc(-c6ncco6)c5)c5ccccc5c(-c5ccnc(-c6ncco6)c5)c4c3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.42
HPGDS O60760 1/20 0.41
LTA4H P09960 1/20 0.40
PIK3CA P42336 1/20 0.38
PIM1 P11309 1/20 0.36
ALK Q9UM73 1/20 0.35
FAAH O00519 2/20 0.34
PRKDC P78527 1/20 0.34
BRD4 O60885 2/20 0.34
SMO Q99835 2/20 0.34
USP30 Q70CQ3 1/20 0.34
MKNK1 Q9BUB5 1/20 0.33
HPGD P15428 1/20 0.33
CES1 P23141 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 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
SCHEMBL17704378 1.00 MCL1 (0.42) MCL1HPGDSLTA4HPIK3CAPIM1
SCHEMBL17704389 0.97 MCL1 (0.41) MCL1HPGDSLTA4HPIK3CAPIM1
SCHEMBL17704385 0.97 MCL1 (0.41) MCL1HPGDSLTA4HPIK3CAPIM1
SCHEMBL17704379 0.91 HPGDS (0.39) MCL1HPGDSLTA4HPIK3CAPIM1
SCHEMBL17704368 0.90 HPGDS (0.44) MCL1HPGDSLTA4HPIK3CAPIM1
SCHEMBL17704370 0.90 HPGDS (0.44) MCL1HPGDSLTA4HPIK3CAPIM1
SCHEMBL17704377 0.89 HPGDS (0.42) MCL1HPGDSLTA4HPIM1BRD4
SCHEMBL17704382 0.89 SMN1; SMN2 (0.40) MCL1HPGDSLTA4HHPGD
SCHEMBL17704372 0.87 HPGDS (0.43) MCL1HPGDSLTA4HPIK3CAPIM1
SCHEMBL17704376 0.87 HPGDS (0.43) MCL1HPGDSLTA4HPIK3CAPIM1

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.