SCHEMBL4562089

SCHEMBL4562089

Cc1cccc(C#Cc2cccc(C)c2)c1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.69
ACHE P22303 3/20 0.58
FFAR1 O14842 4/20 0.53
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
FFAR4 Q5NUL3 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
APP P05067 1/20 0.43

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
SCHEMBL30469481 1.00 GRM5 (0.69) GRM5ACHEFFAR1CA12CA1
SCHEMBL30469478 1.00 GRM5 (0.69) GRM5ACHEFFAR1CA12CA1
SCHEMBL4946180 0.93 GRM5 (0.62) GRM5ACHEFFAR1CA12CA1
SCHEMBL7132620 0.90 GRM5 (0.59) GRM5ACHEFFAR1CA12CA1
SCHEMBL23704113 0.87 ACHE (0.57) GRM5ACHEFFAR1CA12CA1
SCHEMBL29794004 0.87 KCNH2 (0.59) GRM5ACHEFFAR1CA12CA1
SCHEMBL10035460 0.87 ALDH1A1 (0.64) GRM5ACHEFFAR1CA12CA1
SCHEMBL28841296 0.87 KCNH2 (0.59) GRM5ACHEFFAR1CA12CA1
SCHEMBL25128133 0.87 GRM5 (0.56) GRM5ACHEFFAR1CA12CA1
SCHEMBL7670848 0.85 GRM5 (0.55) GRM5ACHEFFAR1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1292604-B1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES PFIZER LTD (GB) 2009-05-13 EP claimed
US-4070333-A AROMATIZATION CATALYST, ADDITION POLYMERIZATION HERCULES INCORPORATED (US) 1978-01-24 US claimed
WO-2023157909-A1 METHOD FOR PRODUCING DIARYLACETYLENE DERIVATIVE 関東電化工業株式会社 2023-08-24 WO disclosed
CN-109574818-B Polysubstituted indanone derivative and preparation method thereof 华侨大学 2021-08-03 CN disclosed
CN-111333572-A Method for synthesizing bisisoquinoline through double C-H activation/cyclization reaction 桂林理工大学 2020-06-26 CN disclosed
CN-108484499-B Method for preparing polysubstituted isoquinoline derivative from hydroxylamine and alkyne 清华大学 2020-06-19 CN disclosed
CN-110330591-A Porous organic polymer and its preparation method and application of the one kind containing Phosphine ligands 青岛科技大学 2019-10-15 CN disclosed
US-9493494-B2 Phosphinine oxide derivative and preparation method thereof KNU-INDUSTRY COOPERATION FOUNDATION (KR) 2016-11-15 US disclosed
US-20150344506-A1 NOVEL PHOSPHININE OXIDE DERIVATIVE AND PREPARATION METHOD THEREOF KNU-INDUSTRY COOPERATION FOUNDATION (KR) 2015-12-03 US disclosed
EP-1113017-B1 SILOLE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THE SAME CHISSO CORP (JP) 2005-12-21 EP disclosed
US-6376694-B1 Silole derivatives and organic electroluminescent element containing the same CHISSO CORPORATION (JP) 2002-04-23 US disclosed
US-4144218-A MOLDING MATERIALS HERCULES INCORPORATED (US) 1979-03-13 US disclosed
EP-0000385-A1 Thermosetting compositions based on polyarylacetylenes and substituted polyphenylene oxides and resins obtained by curing them HERCULES INCORPORATED (US) 1979-01-24 EP disclosed
US-4097460-A DIPHENYLACETYLENE, DIPHENYLBUTADIYNE, MOLDING MATERIALS FOR HIGH TEMPERATURE APPLICATIONS HERCULES INCORPORATED (US) 1978-06-27 US disclosed
US-4070333-A AROMATIZATION CATALYST, ADDITION POLYMERIZATION HERCULES INCORPORATED (US) 1978-01-24 US disclosed
US-4026859-A AROMATIZATION CATALYST HERCULES INCORPORATED (US) 1977-05-31 US disclosed
US-4026860-A AROMATIZATION CATALYST HERCULES INCORPORATED (US) 1977-05-31 US disclosed
US-4026861-A AROMATIZATION CATALYST HERCULES INCORPORATED (US) 1977-05-31 US disclosed
US-3993711-A THERMOSETTING RESINS; COUPLING AGENTS; CARBOXYLATED PREPOLYMER HERCULES INCORPORATED (US) 1976-11-23 US disclosed
US-3931093-A CURING HERCULES INCORPORATED (US) 1976-01-06 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-20150344506-A1 NOVEL PHOSPHININE OXIDE DERIVATIVE AND PREPARATION METHOD THEREOF PHOSPHO1, PPIP5K2, ITPA GRM5 732/4885ACHE 107/4885FFAR1 2735/4885

“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.