SCHEMBL4804053

SCHEMBL4804053

COc1ccn2cc(C)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HRH3 Q9Y5N1 1/20 0.35
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA7 P43166 3/20 0.33
CA9 Q16790 3/20 0.33
CA12 O43570 2/20 0.33
CA14 Q9ULX7 2/20 0.33
JAK2 O60674 1/20 0.33
BTK Q06187 1/20 0.33
TLR9 Q9NR96 2/20 0.33
TLR7 Q9NYK1 2/20 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
SCHEMBL4796310 0.87 ALOX15 (0.44) ACHENPC1RAB9AKDM4EPKM
SCHEMBL8204755 0.77 ALDH1A3 (0.44) NPC1RAB9AKDM4EPKMMEN1
SCHEMBL7011762 0.77 LPO (0.34) NPC1RAB9AKDM4EPKMMEN1
SCHEMBL7172987 0.75 ALDH1A3 (0.42) NPC1RAB9AKDM4EMEN1MAPT
SCHEMBL7167040 0.74 ACHE (0.43) ACHENPC1RAB9AKDM4EPKM
SCHEMBL7012910 0.74 HTR2C (0.40) KDM4EALDH1A1
SCHEMBL26423050 0.74 SMN1; SMN2 (0.40) ACHENPC1RAB9AKDM4EMEN1
SCHEMBL7169116 0.72 NPC1 (0.44) NPC1RAB9AKDM4EPKMMEN1
SCHEMBL17033291 0.68 ACHE (0.39) ACHENPC1RAB9AKDM4EPKM
SCHEMBL13931946 0.68 QPCT (0.43) NPC1RAB9AKDM4EMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101133056-B Antitumor compounds NAT HEALTH RESEARCH INSTITUTES 2010-12-01 CN disclosed
US-7456289-B2 Anti-tumor compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-11-25 US disclosed
CN-101133056-A Antitumor compounds NAT HEALTH RESEARCH INSTITUTES (CN) 2008-02-27 CN disclosed
EP-1838711-A2 ANTI-TUMOR COMPOUNDS National Health Research Institutes (TW) 2007-10-03 EP disclosed
WO-2006074041-A2 ANTI-TUMOR COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2006-07-13 WO disclosed
US-20060148801-A1 Anti-tumor compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2006-07-06 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-20060148801-A1 Anti-tumor compounds TUBB1, TUBB3, TUBB ACHE 4801/4885NPC1 3095/4885RAB9A 416/4885

“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.