SCHEMBL209082

SCHEMBL209082

Cc1ccc2oc[c]c2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
TP53 P04637 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2A6 P11509 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
KDM4E B2RXH2 4/20 0.32
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
HPGD P15428 3/20 0.32
MAOB P27338 3/20 0.32
HSD17B10 Q99714 2/20 0.32
CASP3 P42574 2/20 0.31
SENP7 Q9BQF6 2/20 0.31
SENP6 Q9GZR1 2/20 0.31
CYP3A4 P08684 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL208818 0.83 CYP1A2 (0.33) ALDH1A1TP53CYP1A2CYP2A6TDP1
SCHEMBL208915 0.74 AHR (0.38) ALDH1A1TP53CYP1A2NOS3NOS1
SCHEMBL4116888 0.74 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP2A6KDM4ENPC1
SCHEMBL5537351 0.74 TRPA1 (0.36) ALDH1A1TP53CYP1A2CYP2A6TDP1
SCHEMBL5536748 0.74 LMNA (0.39) ALDH1A1TP53TDP1KDM4ENPC1
SCHEMBL466438 0.72 ALDH1A1 (0.42) ALDH1A1TP53TDP1NOS3NOS1
SCHEMBL5536812 0.70 NQO1 (0.43) ALDH1A1TP53CYP1A2TDP1KDM4E
SCHEMBL7974023 0.64 NOS1 (0.40) ALDH1A1TP53CYP1A2CYP2A6NOS3
SCHEMBL322992 0.64 MAPT (0.37) ALDH1A1TP53CYP1A2CYP2A6NOS3
SCHEMBL82831 0.62

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 81 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311844-B Triazine compound, method for producing same, and organic electroluminescent element containing same as constituent component 东曹株式会社 2021-07-20 CN disclosed
CN-112912372-A Cyclic azine compound, material for organic electroluminescent element, electron transport material for organic electroluminescent element, and organic electroluminescent element 东曹株式会社 2021-06-04 CN disclosed
WO-2020085319-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ELECTRON TRANSPORT MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2020-04-30 WO disclosed
WO-2019163959-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCNET ELEMENT, AND ELECTRON-TRANSPORTING MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2019-08-29 WO disclosed
EP-2952096-B1 Amide compound, an arthropod pest control agent and a method for controlling arthropod pest SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-9814235-B2 Method for controlling arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-14 US disclosed
EP-1925611-B1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME DAIICHI SANKYO CO LTD (JP) 2016-04-13 EP disclosed
EP-2952096-A1 METHOD FOR CONTROLLING ARTHROPOD PEST Sumitomo Chemical Company, Limited (JP) 2015-12-09 EP disclosed
US-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-03 US disclosed
CN-104955332-A Method for controlling arthropod pest SUMITOMO CHEMICAL CO 2015-09-30 CN disclosed
US-20040132748-A1 Novel adenne derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-08 US disclosed
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP disclosed
EP-1386923-A1 NOVEL ADENINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-02-04 EP disclosed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 EP disclosed
US-6500951-B1 RING CLOSING A CARBOXYLIC ACID DERIVATIVE IN PRESENCE OF A NITROGEN CONTAINING AROMATIC COMPOUND AND A BORON COMPOUND; HIGH YIELD AND PURITY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-31 US disclosed
CN-1334805-A Process for preparing pyridazin-2-one derivs. SUMITOMO CHEMICAL CO (JP) 2002-02-06 CN disclosed
EP-1137641-A1 PROCESS FOR PREPARING PYRIDAZIN-3-ON DERIVATIVES SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-10-04 EP disclosed
WO-2000034249-A1 PROCESS FOR PREPARING PYRIDAZIN-3-ON DERIVATIVES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-06-15 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 (3 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-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST H1-0, H1-3, H1-2 ALDH1A1 3053/4885TP53 4677/4885CYP1A2 193/4885
US-20040132748-A1 Novel adenne derivatives IRF3, IFNAR1, STING1 ALDH1A1 1181/4885TP53 2056/4885CYP1A2 628/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 ALDH1A1 2109/4885TP53 3477/4885CYP1A2 273/4885

“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.