SCHEMBL1695288

SCHEMBL1695288

CCCCOC(CCCC)(CCCC)CCCC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
TSHR P16473 4/20 0.35
CYP3A4 P08684 3/20 0.35
ALDH1A1 P00352 1/20 0.33
LTA4H P09960 3/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.32
NR5A1 Q13285 1/20 0.31
ATM Q13315 1/20 0.31
CYP2D6 P10635 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
THRB P10828 1/20 0.30
FDPS P14324 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
Ammonia Solution, Strong SCHEMBL28196286 0.95 ADRB2 (0.36) ADRB2ADRB1ADRB3TSHRCYP3A4
Methyl Alcohol SCHEMBL27880650 0.91 TSHR (0.34) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL11504759 0.89 CYP3A4 (0.40) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL7628864 0.85
SCHEMBL8953033 0.85 ADRB2 (0.39) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL2155112 0.84 TSHR (0.38) ADRB2ADRB1ADRB3TSHRCYP3A4
Hydrochloric Acid SCHEMBL3155684 0.84
SCHEMBL3306803 0.82
SCHEMBL2191404 0.80 TSHR (0.33) TSHRLMNATHRBFDPS
SCHEMBL10024503 0.80 ADRB2 (0.41) ADRB2ADRB1ADRB3TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3820609-B1 USE OF N-CHELATING RUTHENIUM COMPLEXES IN THE METATHESIS REACTION APEIRON SYNTHESIS SA (PL) 2023-06-28 EP claimed
US-20210237045-A1 USE OF N-CHELATING RUTHENIUM COMPLEXES IN THE METATHESIS REACTION APEIRON SYNTHESIS S.A. (PL) 2021-08-05 US claimed
EP-3820609-A1 <SMALLCAPS/>? ? ?N? ? ? ? ?USE OF-CHELATING RUTHENIUM COMPLEXES IN THE METATHESIS REACTION Apeiron Synthesis S.A. (PL) 2021-05-19 EP claimed
US-10332650-B2 Carbon-metal composite and method for preparing the same DONGJIN SEMICHEM CO., LTD. (KR) 2019-06-25 US claimed
CN-105849819-B The method for being used to prepare carbon-metal composite material 东进世美肯株式会社 2019-03-08 CN claimed
US-20160307660-A1 Carbon-Metal Composite and Method for Preparing the Same DONGJIN SEMICHEM CO., LTD. (KR) 2016-10-20 US claimed
CN-105849819-A Method for preparing carbon-metal composite 东进世美肯株式会社 2016-08-10 CN claimed
CN-101014555-B Process for the isolation of modafinil CEPHALON INC 2010-12-08 CN claimed
EP-1727787-B1 NEW PROCESS FOR THE PREPARATION OF NITROOXYDERIVATIVES OF PARACETAMOL NICOX SA (FR) 2008-07-02 EP claimed
EP-1591445-B1 Preparation of cabergoline form I und solvate thereof RESOLUTION CHEMICALS LTD (GB) 2008-05-07 EP claimed
CN-101014555-A Process for the isolation of modafinil CEPHALON INC (US) 2007-08-08 CN claimed
US-7186837-B2 Preparation of cabergoline RESOLUTION CHEMICALS (GB) 2007-03-06 US claimed
WO-2005105796-A1 PREPARATION OF CABERGOLINE RESOLUTION CHEMICALS LIMITED (GB) 2005-11-10 WO claimed
US-20050245560-A1 Form I; dissolving cabergoline in ethylbenzene to form a solvate, optionally adding a second solvent, crystallization; purification RESOLUTION CHEMICALS, LTD. (GB) 2005-11-03 US claimed
EP-1591445-A1 Preparation of cabergoline form I und solvate therof Resolution Chemicals Limited (GB) 2005-11-02 EP claimed
US-6806002-B2 COMPOSITE ELECTRODES CONTAINING ACTIVE POWDER HYDRO-DUEBEC (CA) 2004-10-19 US claimed
US-20010041295-A1 Composite electrodes containing active powder HYDRO-QUEBEC (CA) 2001-11-15 US claimed
CN-118146343-A Allergy antigen and epitope thereof 朋友股份有限公司 2024-06-07 CN disclosed
WO-1999052848-A1 PHOSPHODIESTERASE ISOENZYME DENOMINATED 4 (PDE 4) INHIBITING COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1999-10-21 WO disclosed
CN-1128987-A Novel intermediates for the preparation of antihistaminic piperidine derivatives MERRELL DOW PHARMA (US) 1996-08-14 CN 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-20210237045-A1 USE OF N-CHELATING RUTHENIUM COMPLEXES IN THE METATHESIS REACTION CYC1, AP1M1, HNMT ADRB2 1974/4885ADRB1 2081/4885ADRB3 3075/4885

“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.