SCHEMBL723511

SCHEMBL723511

COc1cccc(CCc2cccc(OC)c2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.77
▸ CHRM2 P08172 2/20 0.71
▸ CHRM1 P11229 2/20 0.71
▸ CHRM3 P20309 2/20 0.71
▸ SIGMAR1 Q99720 1/20 0.67
▸ AOC3 Q16853 1/20 0.67
▸ IDO1 P14902 2/20 0.64
▸ AGXT P21549 2/20 0.64
▸ HRH3 Q9Y5N1 1/20 0.62
▸ ABCB1 P08183 3/20 0.62
▸ HTR1A P08908 2/20 0.62
▸ DRD2 P14416 2/20 0.62
▸ GABRA1 P14867 1/20 0.61
▸ GABRG2 P18507 1/20 0.61
▸ GABRB3 P28472 1/20 0.61
▸ GABRA3 P34903 1/20 0.61
▸ GABRA2 P47869 1/20 0.61
▸ GABRB2 P47870 1/20 0.61
▸ DAO P14920 1/20 0.60
▸ ABCG2 Q9UNQ0 1/20 0.60

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
SCHEMBL30080050 1.00 TAAR1 (0.77) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL4060273 0.94 TAAR1 (0.69) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL1975466 0.94 TAAR1 (0.69) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL4949653 0.92 TAAR1 (0.67) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL21002016 0.91 TAAR1 (0.71) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL21002162 0.91 TAAR1 (0.71) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL29986862 0.91 TAAR1 (0.71) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL20078316 0.90 ACHE (0.67) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL156300 0.89 TAAR1 (0.69) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL21002124 0.89 TAAR1 (0.69) TAAR1CHRM2CHRM1CHRM3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3798215-A1 COVALENT PRINTING BY PHOTO-TRIGGERED CLICK LIGATION Université de Nantes (FR) 2021-03-31 — — EP disclosed
EP-3798215-A1 COVALENT PRINTING BY PHOTO-TRIGGERED CLICK LIGATION Université de Nantes (FR) 2021-03-31 — — EP disclosed
US-20200375949-A1 BISPHENOL COMPOUNDS TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2020-12-03 — — US disclosed
WO-2019104153-A1 BISPHENOL COMPOUNDS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2019-05-31 — — WO disclosed
WO-2013147325-A1 PATTERN FORMING METHOD, METHOD FOR SELECTING HEATING TEMPERATURE IN PATTERN FORMING METHOD, EXTREME ULTRAVIOLET-SENSITIVE RESIN COMPOSITION, RESIST FILM, MANUFACTURING METHOD OF ELECTRONIC DEVICE USING THE SAME, AND ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2013-10-03 — — WO disclosed
US-8541625-B2 Cyclopropenones and the photochemical generation of cyclic alkynes therefrom UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2013-09-24 — — US disclosed
US-20130164803-A9 CYCLOPROPENONES AND THE PHOTOCHEMICAL GENERATION OF CYCLIC ALKYNES THEREFROM UNIVERSITY OF GEORGE RESEARCH FOUNDATION, INC. (US) 2013-06-27 — — US disclosed
US-8426649-B2 Cyclopropenones and the photochemical generation of cyclic alkynes therefrom UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2013-04-23 — — US disclosed
US-20120295318-A1 CYCLOPROPENONES AND THE PHOTOCHEMICAL GENERATION OF CYCLIC ALKYNES THEREFROM UNIVERSITY OF GEORGE RESEARCH FOUNDATION, INC. (US) 2012-11-22 — — US disclosed
US-8258347-B2 Cyclopropenones and the photochemical generation of cyclic alkynes therefrom UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2012-09-04 — — US disclosed
US-20120053299-A1 Cyclopropenones and the Photochemical Generation of Cyclic Alkynes Therefrom UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2012-03-01 — — US disclosed
US-20100210854-A1 Cyclopropenones and the Photochemical Generation of Cyclic Alkynes Therefrom UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2010-08-19 — — US disclosed
CN-1687146-A Photoinitiator containing ether hexaaryl diimidazole and preparation method thereof UNIV SHANGHAI JIAOTONG (CN) 2005-10-26 — — CN disclosed
US-5250657-A Process for preparing polyarylene thioether SEISAN KAIHATSU KAGAKU KENKYUSHO (JP) 1993-10-05 — — US disclosed
EP-0440106-A2 Process for preparing polyarylene thioethers SEISAN KAIHATSU KAGAKU KENKYUSHO (JP) 1991-08-07 — — EP 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 (5 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-20120295318-A1 CYCLOPROPENONES AND THE PHOTOCHEMICAL GENERATION OF CYCLIC ALKYNES THEREFROM WEE1, WEE2, MPI TAAR1 3922/4885CHRM2 315/4885CHRM1 296/4885
US-20130164803-A9 CYCLOPROPENONES AND THE PHOTOCHEMICAL GENERATION OF CYCLIC ALKYNES THEREFROM WEE1, WEE2, MPI TAAR1 3922/4885CHRM2 315/4885CHRM1 296/4885
US-20200375949-A1 BISPHENOL COMPOUNDS RPP30, RPS10, RPS20 TAAR1 4418/4885CHRM2 4606/4885CHRM1 4068/4885
US-20120053299-A1 Cyclopropenones and the Photochemical Generation of Cyclic Alkynes Therefrom WEE1, WEE2, MPI TAAR1 3922/4885CHRM2 315/4885CHRM1 296/4885
US-20100210854-A1 Cyclopropenones and the Photochemical Generation of Cyclic Alkynes Therefrom WEE1, WEE2, MPI TAAR1 3922/4885CHRM2 315/4885CHRM1 296/4885

“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.

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