SCHEMBL4796310

SCHEMBL4796310

COc1ccn2cc(C)cc2c1.c1ccn2cccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
TLR9 Q9NR96 1/20 0.36
ACHE P22303 1/20 0.36
KDM4E B2RXH2 7/20 0.35
MAPT P10636 7/20 0.35
RAB9A P51151 6/20 0.35
ALDH1A1 P00352 6/20 0.35
NPC1 O15118 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
POLB P06746 2/20 0.35
HPGD P15428 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
PKM P14618 2/20 0.35
EPHX2 P34913 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
JAK2 O60674 1/20 0.31

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
SCHEMBL4804053 0.87 ACHE (0.41) TLR9ACHEKDM4EMAPTRAB9A
SCHEMBL321553 0.77 ALOX15 (0.48) ALOX15ACHEKDM4EMAPTRAB9A
SCHEMBL7441391 0.76 RAB9A (0.47) ALOX15TLR9KDM4EMAPTRAB9A
SCHEMBL7172987 0.72 ALDH1A3 (0.42) KDM4EMAPTRAB9AALDH1A1NPC1
1,2-Dichloroethane SCHEMBL27922038 0.69 NPC1 (0.41) ALOX15KDM4EMAPTRAB9AALDH1A1
SCHEMBL149606 0.69 NPC1 (0.51) ACHEKDM4EMAPTRAB9AALDH1A1
Thiophene SCHEMBL28091067 0.68 NPC1 (0.40) ALOX15KDM4EMAPTRAB9AALDH1A1
SCHEMBL7012910 0.68 HTR2C (0.40) KDM4EALDH1A1
SCHEMBL4566860 0.67 ALOX15 (0.50) ALOX15ACHEKDM4EMAPTRAB9A
SCHEMBL4566858 0.67 ALOX15 (0.50) ALOX15ACHEKDM4EMAPTRAB9A

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 ALOX15 4311/4885TLR9 4738/4885ACHE 4801/4885

“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.