SCHEMBL2561141

SCHEMBL2561141

CCCCCCCCc1ccc([Mg]Br)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.57
ESR1 P03372 2/20 0.57
ADRA2A P08913 2/20 0.57
ADORA3 P0DMS8 2/20 0.57
TACR2 P21452 2/20 0.57
SLC6A2 P23975 2/20 0.57
SLC6A4 P31645 2/20 0.57
SLC6A3 Q01959 2/20 0.57
HSD17B10 Q99714 2/20 0.57
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.57
LMNA P02545 1/20 0.57
SHBG P04278 1/20 0.57
TP53 P04637 1/20 0.57
CYP3A4 P08684 1/20 0.57
HSPD1 P10809 1/20 0.57
ADRB3 P13945 1/20 0.57
HTR2C P28335 1/20 0.57
HSPE1 P61604 1/20 0.57
HIF1A Q16665 1/20 0.57

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
SCHEMBL18281616 1.00 PTGS2 (0.57) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL15302863 1.00 PTGS2 (0.57) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL4882552 1.00 PTGS2 (0.57) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL10426156 1.00 PTGS2 (0.57) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL9720081 0.98 ESR1 (0.53) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL10528133 0.94 HSD17B10 (0.56) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL10482087 0.92 RARB (0.53) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL337129 0.92 CA2 (0.48) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL10571328 0.87 MAOB (0.39) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL3044257 0.83 LPL (0.45) ALDH1A1KDM4ELPLLIPGMGLL

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-113677731-B Graphene nanoribbon and preparation method thereof 田冈化学工业株式会社 2025-02-07 CN disclosed
EP-3940013-A1 GRAPHENE NANORIBBON AND METHOD FOR PRODUCING SAME Taoka Chemical Co., Ltd. (JP) 2022-01-19 EP disclosed
CN-113677731-A Graphene nanoribbons and methods of making the same 田冈化学工业株式会社 2021-11-19 CN disclosed
WO-2020184625-A1 GRAPHENE NANORIBBON AND METHOD FOR PRODUCING SAME 国立大学法人東海国立大学機構 2020-09-17 WO disclosed
US-8946448-B2 Organic semiconductors CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2015-02-03 US disclosed
US-20130102792-A1 Organic Semiconductors CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2013-04-25 US disclosed
EP-2564439-A1 ORGANIC SEMICONDUCTORS Cambridge Display Technology Limited (GB) 2013-03-06 EP disclosed
WO-2011131936-A1 ORGANIC SEMICONDUCTORS CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2011-10-27 WO disclosed
US-20050107599-A1 Novel phosphonamides, process for producing the same, and use thereof JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2005-05-19 US disclosed
EP-1496063-A1 NOVEL PHOSPHONAMIDES, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Japan Science and Technology Agency (JP) 2005-01-12 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 (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-20050107599-A1 Novel phosphonamides, process for producing the same, and use thereof PHYKPL, CDKL1, MASTL PTGS2 2828/4885ESR1 1196/4885ADRA2A 2493/4885

“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.