SCHEMBL5110066

SCHEMBL5110066

OCc1cccnc1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.49
MET P08581 1/20 0.46
KDM4E B2RXH2 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
ALDH1A1 P00352 1/20 0.46
HSP90AA1 P07900 1/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CALM1 P0DP23 1/20 0.39
SMO Q99835 1/20 0.38
BCL2 P10415 1/20 0.38
BCL2L1 Q07817 1/20 0.38
MEN1 O00255 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL2232473 0.86 MET (0.50) PAX8METKDM4EALDH1A1HSP90AA1
SCHEMBL5102757 0.85 ALDH1A1 (0.50) PAX8METKDM4EL3MBTL1ALDH1A1
Ammonia Solution, Strong SCHEMBL28590384 0.85 MET (0.49) PAX8METKDM4EALDH1A1HSP90AA1
SCHEMBL30022256 0.85 MET (0.49) PAX8METKDM4EALDH1A1HSP90AA1
SCHEMBL4800049 0.81 HTR2A (0.44) PAX8METKDM4EHSP90AA1SMN1; SMN2
SCHEMBL28023498 0.81 HSP90AA1 (0.46) PAX8METKDM4EALDH1A1HSP90AA1
SCHEMBL29593270 0.80 L3MBTL1 (0.61) KDM4EL3MBTL1ALDH1A1KMT2ATSHR
SCHEMBL360470 0.80 L3MBTL1 (0.61) KDM4EL3MBTL1ALDH1A1KMT2ATSHR
Hydrochloric Acid SCHEMBL28880679 0.80 KDM4E (0.54) PAX8METKDM4EHSP90AA1TSHR
SCHEMBL6310826 0.78 TBXAS1 (0.50) KDM4EALDH1A1HSP90AA1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106715425-B Herbicidal quinolines 先正达参股股份有限公司 2020-11-06 CN disclosed
EP-3191465-B1 HERBICIDAL QUINOLINES SYNGENTA PARTICIPATIONS AG (CH) 2018-12-19 EP disclosed
US-9980486-B2 Herbicidal quinolines SYNGENTA PARTICIPATIONS AG (CH) 2018-05-29 US disclosed
US-20170251670-A1 HERBICIDAL QUINOLINES SYNGENTA PARTICIPATIONS AG (CH) 2017-09-07 US disclosed
EP-3191465-A1 HERBICIDAL QUINOLINES Syngenta Participations AG (CH) 2017-07-19 EP disclosed
WO-2016038173-A1 HERBICIDAL QUINOLINES SYNGENTA PARTICIPATIONS AG (CH) 2016-03-17 WO disclosed
US-7342116-B2 Process for producing heterocyclic aldehyde KOEI CHEMICAL CO., LTD. (JP) 2008-03-11 US disclosed
US-20050124807-A1 oxidation of a hetero alcohol in presence od an 2,2,6,6-teraalkylpiperidin-1-oxy comound KOEI CHEMICAL CO., LTD. (JP) 2005-06-09 US disclosed
US-4753947-A Certain fungicidal alphabenzyl-3-pyridylmethanol, the corresponding chloro derivatives thereof or the N-oxides thereof HOFFMANN-LA ROCHE INC. (US) 1988-06-28 US disclosed
US-4678790-A AGRICULTURE HORTICULTURE HOFFMAN-LA ROCHE INC. (US) 1987-07-07 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 (2 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-20050124807-A1 oxidation of a hetero alcohol in presence od an 2,2,6,6-teraalkylpiperidin-1-oxy comound ADH1C, ADH1A, AOX1 PAX8 4426/4885MET 1470/4885KDM4E 3250/4885
US-20170251670-A1 HERBICIDAL QUINOLINES NQO2, DDT, ATP1B1 PAX8 2493/4885MET 4291/4885KDM4E 1955/4885

“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.