Sugi Predict

Sugi Predict / Compounds / SCHEMBL4866079

SCHEMBL4866079

SCHEMBL4866079

C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2=[Ru](Cl)Cl)c(C)c1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TAS1R3 Q7RTX0 2/20 0.30
▸ TAS1R1 Q7RTX1 2/20 0.30
▸ TAS1R2 Q8TE23 2/20 0.30
▸ NR1I2 O75469 1/20 0.30
▸ KDM4B O94953 1/20 0.30
▸ CHRM1 P11229 1/20 0.30
▸ TBXA2R P21731 1/20 0.30
▸ ADRA1A P35348 1/20 0.30
▸ DOHH Q9BU89 1/20 0.30

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
SCHEMBL1662433 0.83 ALDH1A1 (0.34) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL16834202 0.81 ALDH1A1 (0.34) ALDH1A1POLBMAPTHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL2961475 0.80 MAPT (0.36) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL17459753 0.80 ALDH1A1 (0.33) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL5218006 0.75 — —
SCHEMBL15194885 0.74 — —
SCHEMBL1789371 0.74 BACE1 (0.30) —
SCHEMBL29489277 0.72 TAS1R3 (0.31) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL727932 0.72 — —
SCHEMBL1535714 0.71 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669330-B2 Olefin triblock polymers via ring-opening metathesis polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-03-11 — — US claimed
US-8283419-B2 Olefin functionalization by metathesis reaction EXXONMOBIL CHEMICAL PATENTS INC. (US) 2012-10-09 — — US claimed
US-20240140946-A1 N-1 BRANCHED CYCLOALKYL SUBSTITUTED IMIDAZO[4,5-c]QUINOLINE COMPOUNDS, COMPOSITIONS, AND METHODS SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2024-05-02 — — US disclosed
US-11884662-B2 N-1 branched cycloalkyl substituted imidazo[4,5-c]quinoline compounds, compositions, and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2024-01-30 — — US disclosed
WO-2024015412-A1 TETRAHYDRONAPHTHALENE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-01-18 — — WO disclosed
WO-2023127582-A1 POLYMER, METHOD FOR PRODUCING SAME, RESIN COMPOSITION, AND ELECTRONIC COMPONENT 日本ゼオン株式会社 2023-07-06 — — WO disclosed
EP-3802536-B1 N-1 BRANCHED CYCLOALKYL SUBSTITUTED IMIDAZO[4,5-C]QUINOLINE COMPOUNDS, COMPOSITIONS, AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2022-07-13 — — EP disclosed
CN-109715632-B Macrocyclic indole derivatives 拜尔公开股份有限公司 2021-10-26 — — CN disclosed
US-20210317116-A1 N-1 BRANCHED CYCLOALKYL SUBSTITUTED IMIDAZO[4,5-C]QUINOLINE COMPOUNDS, COMPOSITIONS, AND METHODS SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2021-10-14 — — US disclosed
EP-3094325-B1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2021-10-13 — — EP disclosed
US-20210163671-A1 METHOD FOR PREPARING COMPOUNDS WITH AN ALKOXYSILYL GROUP BOSTIK SA (FR) 2021-06-03 — — US disclosed
EP-3345909-B1 TETRAHYDROOXEPINOPYRIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2020-06-17 — — EP disclosed
US-7361743-B2 Such as 5-propyl-azepane-2-carboxylic acid [2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-tetrahydro-pyran-2-yl)-propyl]-amide; for prevention and treatment of mycobacterial, mycoplasmal or chlamydia infection; microbiocides PFIZER INC (US) 2008-04-22 — — US disclosed
US-7256177-B2 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS, INC. (US) 2007-08-14 — — US disclosed
US-7199106-B2 Lincomycin derivatives possessing antimicrobial activity VICURON PHARMACEUTICALS, INC. (US) 2007-04-03 — — US disclosed
US-20060148722-A1 Novel lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-07-06 — — US disclosed
US-20050215488-A1 Such as 5-propyl-azepane-2-carboxylic acid [2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-tetrahydro-pyran-2-yl)-propyl]-amide; for prevention and treatment of mycobacterial, mycoplasmal or chlamydia infection; microbiocides VICURON PHARMACEUTICALS INC. 2005-09-29 — — US disclosed
US-20050043248-A1 Novel lincomycin derivatives possessing antimicrobial activity VICURON PHARMACEUTICALS INC. 2005-02-24 — — 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 (6 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-20210317116-A1 N-1 BRANCHED CYCLOALKYL SUBSTITUTED IMIDAZO[4,5-C]QUINOLINE COMPOUNDS, COMPOSITIONS, AND METHODS IFNG, IFNAR1, CCL5 ALDH1A1 773/4885POLB 939/4885MAPT 4615/4885
US-11884662-B2 N-1 branched cycloalkyl substituted imidazo[4,5-c]quinoline compounds, compositions, and methods IFNG, IFNAR1, CCL5 ALDH1A1 773/4885POLB 939/4885MAPT 4615/4885
US-20060148722-A1 Novel lincomycin derivatives possessing antibacterial activity LCLAT1, LAS1L, NRDC ALDH1A1 2927/4885POLB 2163/4885MAPT 4511/4885
US-20050215488-A1 Such as 5-propyl-azepane-2-carboxylic acid [2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-tetrahydro-pyran-2-yl)-propyl]-amide; for prevention and treatment of mycobacterial, mycoplasmal or chlamydia infection; microbiocides PAM, MLYCD, PPT1 ALDH1A1 2254/4885POLB 3052/4885MAPT 4240/4885
US-20050043248-A1 Novel lincomycin derivatives possessing antimicrobial activity LCLAT1, NRDC, LAS1L ALDH1A1 2991/4885POLB 2201/4885MAPT 4461/4885
US-20240140946-A1 N-1 BRANCHED CYCLOALKYL SUBSTITUTED IMIDAZO[4,5-c]QUINOLINE COMPOUNDS, COMPOSITIONS, AND METHODS IFNG, IFNAR1, CCL5 ALDH1A1 1543/4885POLB 877/4885MAPT 4707/4885

“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.