SCHEMBL840229

SCHEMBL840229

C=CC#Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.55
MAPT P10636 4/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
HPGD P15428 2/20 0.45
KMT2A Q03164 2/20 0.45
USP2 O75604 1/20 0.45
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
THPO P40225 1/20 0.41
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
GRM5 P41594 1/20 0.39
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL5507858 0.78 APP (0.61) APPMAPTALDH1A1MEN1HPGD
SCHEMBL9146168 0.78 APP (0.61) APPMAPTALDH1A1MEN1HPGD
SCHEMBL5507856 0.78 APP (0.61) APPMAPTALDH1A1MEN1HPGD
SCHEMBL28978993 0.77 APP (0.46) APPMAPTALDH1A1MEN1HPGD
SCHEMBL7035142 0.75 APP (0.48) APPMAPTALDH1A1MEN1HPGD
SCHEMBL21261234 0.75 CYP2A6 (0.38) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL29114228 0.75 GRM5 (0.43) MAPTALDH1A1MEN1KMT2AGRM5
SCHEMBL18897534 0.75 APP (0.59) APPMAPTALDH1A1MEN1KMT2A
SCHEMBL3821137 0.75 APP (0.50) APPMAPTALDH1A1MEN1HPGD
SCHEMBL18375968 0.75 GRM5 (0.36) APPGRM5KDM4EFFAR1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116947920-A Preparation method of phosphine-containing conjugated diene compound 中国科学院大连化学物理研究所 2023-10-27 CN claimed
CN-116947921-A Method for preparing alkenyl phosphate compound 中国科学院大连化学物理研究所 2023-10-27 CN claimed
CN-111592607-B Application of covalent organic framework material of supported rhodium catalyst in alkyne polymerization 北京理工大学 2023-06-20 CN claimed
CN-113072581-A Method for synthesizing polysubstituted phosphonyl 1, 3-butadiene compound 扬州大学 2021-07-06 CN claimed
CN-111592607-A Application of covalent organic framework material loaded with rhodium catalyst in alkyne polymerization 北京理工大学 2020-08-28 CN claimed
CN-103896848-A Method for preparing large-steric hindrance diacetylene compound with imidazole ring structure TEA RES INST CAAS 2014-07-02 CN claimed
CN-120058650-A Catalytic method for preparing 2-methyl furanacetate compound by photocatalysis 兰州大学 2025-05-30 CN disclosed
CN-116947920-A Preparation method of phosphine-containing conjugated diene compound 中国科学院大连化学物理研究所 2023-10-27 CN disclosed
CN-116947921-A Method for preparing alkenyl phosphate compound 中国科学院大连化学物理研究所 2023-10-27 CN disclosed
CN-111592607-B Application of covalent organic framework material of supported rhodium catalyst in alkyne polymerization 北京理工大学 2023-06-20 CN disclosed
CN-113072581-A Method for synthesizing polysubstituted phosphonyl 1, 3-butadiene compound 扬州大学 2021-07-06 CN disclosed
CN-111592607-A Application of covalent organic framework material loaded with rhodium catalyst in alkyne polymerization 北京理工大学 2020-08-28 CN disclosed
CN-103896848-B A kind of preparation method of the double alkine compounds of the tool big steric hindrance of imidazole ring structure 中国农业科学院茶叶研究所 2019-02-05 CN disclosed
US-5576375-A Poly (phenylene-vinylene) resins from vinylethynylbenzene and diethynylbenzene AEROJET- GENERAL CORPORATION (US) 1996-11-19 US disclosed
US-5576375-A Poly (phenylene-vinylene) resins from vinylethynylbenzene and diethynylbenzene AEROJET- GENERAL CORPORATION (US) 1996-11-19 US disclosed
US-5569655-A Substituted heterocyclylisoquinolinium salts and compositions and method of use thereof STERLING WINTHROP INC. (US) 1996-10-29 US disclosed
EP-0111105-B1 UNSATURATED AROMATIC AMIDES AS PESTICIDES THE WELLCOME FOUNDATION LIMITED (GB) 1990-12-05 EP disclosed
US-4931469-A APPLYING UNSATURATED PHENYL AMIDES; FOR ACARINA BURROUGHS WELLCOME CO. (US) 1990-06-05 US disclosed
US-4855086-A MITICIDES, INSECTICIDES BURROUGHS WELLCOME CO. (US) 1989-08-08 US disclosed
EP-0111105-A2 Unsaturated aromatic amides as pesticides THE WELLCOME FOUNDATION LIMITED (GB) 1984-06-20 EP disclosed