SCHEMBL4559015

SCHEMBL4559015

C1=CC(c2cc3ccccc3o2)c2cccc3cccc1c23

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.39
BCHE P06276 2/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
SLC6A3 Q01959 4/20 0.39
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
CYP2D6 P10635 2/20 0.36
KCNH2 Q12809 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
MAOB P27338 1/20 0.33
CYP2A6 P11509 2/20 0.32
FLT3 P36888 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL21326205 0.78 L3MBTL1 (0.36) SLC6A4L3MBTL1KDM4EHSD17B10TDP1
SCHEMBL3470484 0.73 MEN1 (0.37) CYP2D6L3MBTL1HSD17B10
SCHEMBL21994346 0.72 KDM1A (0.40) SLC6A2SLC6A4SLC6A3L3MBTL1CYP2A6
SCHEMBL28231919 0.72 ERBB2 (0.35) ACHEKDM4EHSD17B10
SCHEMBL7849802 0.72 KDM4E (0.41) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
Naphthalene SCHEMBL27590915 0.71 CYP2B6 (0.40) ACHEBCHEMAOBKDM4ETDP1
SCHEMBL28806765 0.71 ALDH1A1 (0.34) L3MBTL1CYP2A6HSD17B10TDP1
SCHEMBL2466948 0.71
Ethylene SCHEMBL27830648 0.71 MEN1 (0.35)
SCHEMBL20472624 0.71 CYP1A2 (0.41) ACHEL3MBTL1HSD17B10TDP1

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-111463352-A Organic light emitting device and display apparatus including the same 三星显示有限公司 2020-07-28 CN claimed
US-7498349-B2 Biaryl compounds having anti-infective activity GENESOFT PHARMACEUTICALS, INC. (US) 2009-03-03 US disclosed
EP-1539151-A4 BIARYL COMPOUNDS HAVING ANTI-INFECTIVE ACTIVITY GENESOFT PHARMACEUTICALS INC (US) 2006-10-11 EP disclosed
US-20060128747-A1 Biaryl compounds having anti-infective activity GENESOFT PHARMACEUTICALS,INC. (US) 2006-06-15 US disclosed
EP-1539151-A1 BIARYL COMPOUNDS HAVING ANTI-INFECTIVE ACTIVITY Genesoft Pharmaceuticals, Inc. (US) 2005-06-15 EP disclosed
WO-2004012736-A1 BIARYL COMPOUNDS HAVING ANTI-INFECTIVE ACTIVITY GENESOFT PHARMACEUTICALS, INC. (US) 2004-02-12 WO 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-20060128747-A1 Biaryl compounds having anti-infective activity LSS, BET1, TYR ACHE 1228/4885BCHE 930/4885CHRNB2 4874/4885

“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.