Sugi Predict

Sugi Predict / Compounds / SCHEMBL1920588

SCHEMBL1920588

SCHEMBL1920588

Brc1ccccc1C#Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.57
▸ APP P05067 1/20 0.57
▸ ALDH1A1 P00352 4/20 0.56
▸ MAPT P10636 3/20 0.56
▸ CYP1A2 P05177 3/20 0.56
▸ CYP3A4 P08684 3/20 0.56
▸ CYP2C9 P11712 3/20 0.56
▸ CYP2C19 P33261 3/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ KDM4E B2RXH2 3/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ HPGD P15428 2/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ CA12 O43570 4/20 0.52
▸ CA2 P00918 4/20 0.52
▸ CA9 Q16790 4/20 0.52
▸ RAB9A P51151 1/20 0.47
▸ CA1 P00915 2/20 0.42

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
SCHEMBL29843195 1.00 FFAR1 (0.57) FFAR1APPALDH1A1MAPTCYP1A2
SCHEMBL28752319 0.98 FFAR1 (0.56) FFAR1APPALDH1A1MAPTCYP1A2
SCHEMBL12408477 0.93 FFAR1 (0.59) FFAR1APPALDH1A1MAPTCYP1A2
SCHEMBL30468202 0.87 FFAR1 (0.47) FFAR1APPALDH1A1MAPTCYP1A2
SCHEMBL2466535 0.87 FFAR1 (0.47) FFAR1APPALDH1A1MAPTCYP1A2
SCHEMBL27985331 0.85 NPC1 (0.50) FFAR1APPALDH1A1MAPTCYP1A2
SCHEMBL18222766 0.83 FFAR1 (0.51) FFAR1APPALDH1A1MAPTCYP1A2
SCHEMBL14882953 0.82 FFAR1 (0.51) FFAR1APPALDH1A1MAPTCYP1A2
SCHEMBL2114742 0.82 APP (0.75) FFAR1APPALDH1A1MAPTCYP1A2
SCHEMBL5871989 0.82 APP (0.75) FFAR1APPALDH1A1MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199671-A1 NOVEL FERROCENE-BASED UNSYMMETRICAL LIGANDS BEARING BULKY DI(ADAMANTLY)PHOSPHINO MOTIF AND THEIR METAL CATALYSTS SIGMA-ALDRICH CO. LLC 2024-06-20 — — US disclosed
EP-4313997-A1 NOVEL FERROCENE-BASED UNSYMMETRICAL LIGANDS BEARING BULKY DI(ADAMANTLY)PHOSPHINO MOTIF AND THEIR METAL CATALYSTS Sigma-Aldrich Co. LLC (US) 2024-02-07 — — EP disclosed
CN-117062822-A Novel asymmetric ferrocene-based ligands with bulky di (adamantyl) phosphino motifs and metal catalysts therefor 西格马-奥尔德里奇有限责任公司 2023-11-14 — — CN disclosed
CN-112830905-B Benzo [ f ] indeno [1,2-d ] [1,2] thiazepine 5-oxy series compounds having a quaternary ring system structure 江西师范大学 2023-04-14 — — CN disclosed
CN-113387886-B 2-aminodibenzo [ c, e ] azepine compound and synthetic method thereof 复旦大学 2022-09-16 — — CN disclosed
CN-113912639-A Synthetic method of benzothiole derivative 河南省科学院化学研究所有限公司 2022-01-11 — — CN disclosed
CN-113387886-A 2-aminodibenzo [ c, e ] azepine compound and synthetic method thereof 复旦大学 2021-09-14 — — CN disclosed
WO-2021139452-A1 ORGANIC ELECTRONIC MATERIAL CONTAINING NITROGEN ATOM HETEROCYCLIC RING, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海传勤新材料有限公司 2021-07-15 — — WO disclosed
EP-2765832-B1 Multicyclic aromatic compound and organic light emitting device using the same HEESUNG MAT LTD (KR) 2018-04-04 — — EP disclosed
US-9899600-B2 Multicyclic aromatic compound and organic light emitting device using the same HEESUNG MATERIAL LTD. (KR) 2018-02-20 — — US disclosed
EP-1461370-A1 ORGANIC COMPOSITIONS Honeywell International Inc. (US) 2004-09-29 — — EP disclosed
CN-1494559-A organic composition 霍尼韦尔国际公司 2004-05-05 — — CN disclosed
WO-2004000909-A1 COMPOSITIONS AND METHODS FOR THERMOSETTING MOLECULES IN ORGANIC COMPOSITIONS HONEYWELL INTERNATIONAL INC. (US) 2003-12-31 — — WO disclosed
WO-2003057749-A1 ORGANIC COMPOSITIONS HONEYWELL INTERNATIONAL INC. (US) 2003-07-17 — — WO disclosed
US-20030096938-A1 Compositions and methods for thermosetting molecules in organic compositions LAU KREISLER (US) 2003-05-22 — — US disclosed
EP-1309639-A1 COMPOSITIONS AND METHODS FOR THERMOSETTING MOLECULES IN ORGANIC COMPOSITIONS Honeywell International, Inc. (US) 2003-05-14 — — EP disclosed
US-20030060590-A1 Producing a low dielectric constant polymer from a thermosetting monomer that has a cage compound or aryl core structure, which is covalently bound to a plurality of arms that contain acetylenic groups HONEYWELL INTERNATIONAL INC. 2003-03-27 — — US disclosed
US-6469123-B1 THERMOSETTING MONOMER IS INCORPORATED INTO A POLYMER TO FORM THE LOW DIELECTRIC CONSTANT POLYMER; CAGE COMPOUNDS AND CORE STRUCTURES INCLUDE ADAMANTANE, DIAMANTANE, SILICON, A PHENYL GROUP AND A SEXIPHENYLENE HONEYWELL INTERNATIONAL INC. 2002-10-22 — — US disclosed
US-20020022708-A1 Compositions and methods for thermosetting molecules in organic compositions HONEYWELL INTERNATIONAL INC. 2002-02-21 — — US disclosed
WO-2002008308-A1 COMPOSITIONS AND METHODS FOR THERMOSETTING MOLECULES IN ORGANIC COMPOSITIONS HONEYWELL INTERNATIONAL INC. (US) 2002-01-31 — — 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 (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-20240199671-A1 NOVEL FERROCENE-BASED UNSYMMETRICAL LIGANDS BEARING BULKY DI(ADAMANTLY)PHOSPHINO MOTIF AND THEIR METAL CATALYSTS AP2A2, AP2B1, AEBP2 FFAR1 1531/4885APP 467/4885ALDH1A1 1789/4885

“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.