SCHEMBL5085663

SCHEMBL5085663

CC=CC(OCCCC)OCCCC

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
DNM1 Q05193 1/20 0.34
ATM Q13315 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
TSHR P16473 2/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 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
SCHEMBL6656306 1.00 ADRB2 (0.35) ADRB2ADRB1ADRB3DNM1ATM
Urea SCHEMBL28739357 0.88 ATM (0.38) ADRB2ADRB1ADRB3DNM1ATM
SCHEMBL26108286 0.85
SCHEMBL11060949 0.83 ADRB2 (0.36) ADRB2ADRB1ADRB3DNM1ATM
SCHEMBL11060957 0.83 ADRB2 (0.36) ADRB2ADRB1ADRB3DNM1ATM
SCHEMBL5612036 0.81 ALDH1A1 (0.42) ATMALDH1A1TSHRHPGD
SCHEMBL28239324 0.80 ADRB2 (0.38) ADRB2ADRB1ADRB3DNM1ATM
SCHEMBL874986 0.79 DNM1 (0.33) ADRB2ADRB1ADRB3DNM1ATM
SCHEMBL9015954 0.77 TSHR (0.38) ADRB2ADRB1ADRB3DNM1ATM
SCHEMBL15384194 0.76 LMNA (0.32) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008077769-A1 PROCESS FOR THE SAFE OZONOLYSIS OF ORGANIC COMPOUNDS IN FLAMMABLE SOLVENTS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2008-07-03 WO disclosed
US-7241857-B2 Method for producing allyl compound, and ether or ester compound produced thereby MITSUBISHI CHEMICAL CORPORATION (JP) 2007-07-10 US disclosed
US-7173157-B2 Method for producing an allyl compound MITSUBISHI CHEMICAL CORPORATION (JP) 2007-02-06 US disclosed
US-7169950-B2 Method for producing monocarbonyl compounds or biscarbonyl compounds or hydroxyl compounds DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2007-01-30 US disclosed
US-7119222-B2 Method for producing allyl compound, and ether or ester compound produced thereby MITSUBISHI CHEMICAL CORPORATION (JP) 2006-10-10 US disclosed
US-20060106181-A1 Method for producing allyl compound, and ether or ester compound produced thereby MITSUBISHI CHEMICAL CORPORATION (JP) 2006-05-18 US disclosed
US-20050075518-A1 Method for producing allyl compound, and allyl compound produced thereby MITSUBISHI CHEMICAL CORPORATION (JP) 2005-04-07 US disclosed
EP-0906299-B1 PROCESS FOR PREPARING TETRAHYDROFURAN FROM DIALKOXYBUTENES BASF AG (DE) 2004-08-04 EP disclosed
US-20040147757-A1 Method for producing allyl compound, and ether or ester compound produced thereby MITSUBISHI CHEMICAL CORPORATION (JP) 2004-07-29 US disclosed
US-20040073041-A1 Method for producing monocarbonyl compounds or biscarbonyl compounds or hydroxyl compounds DSM FINE CHEMICALS AUSTRIA NFG GMBH & COKG (AT) 2004-04-15 US disclosed
CN-1116290-C Process for preparing tetrahydrofuran from dialkoxybutenes BASF AG (DE) 2003-07-30 CN disclosed
US-6245948-B1 REACTING 2-BUTENOL ETHERS IN PRESENCE OF METATHESIS CATALYST TO GIVE BUTENE AND CORRESPONDING 1,4-BUTENEDIOL DIETHERS BASF AKTIENGESELLSCHAFT (DE) 2001-06-12 US disclosed
US-6169189-B1 REACTING DIALKOXYBUTENES WITH WATER AND HYDROGEN IN PRESENCE OF CATALYSTS OR CATALYST COMBINATIONS WHICH ARE BOTH CAPABLE OF HYDROGENATION AND HAVE ACIDIC OR BASIC CENTERS BASF AKTIENGESELLSCHAFT (DE) 2001-01-02 US disclosed
US-6103939-A Process for the preparation of 1,4-butanediol monoethers BASF AKTIENGESELLSCHAFT (DE) 2000-08-15 US disclosed
EP-0906299-A1 PROCESS FOR PREPARING TETRAHYDROFURAN FROM DIALKOXYBUTENES BASF AKTIENGESELLSCHAFT (DE) 1999-04-07 EP disclosed
CN-1210526-A Process for preparing tetrahydrofuran from dialkoxybutenes BASF AG (DE) 1999-03-10 CN disclosed
WO-1997046546-A1 PROCESS FOR PREPARING TETRAHYDROFURAN FROM DIALKOXYBUTENES BASF AKTIENGESELLSCHAFT (DE) 1997-12-11 WO disclosed
EP-0147593-B1 PROCESS FOR THE PREPARATION OF MONO- OR BIS-CARBONYL COMPOUNDS Chemie Linz Gesellschaft m.b.H. (AT) 1990-02-28 EP disclosed
US-4769464-A Process for the preparation of monocarbonyl or biscarbonyl compounds CHEMIE LINZ GESELLSCHAFT M.B.H. (AT) 1988-09-06 US disclosed
EP-0147593-A2 Process for the preparation of mono- or bis-carbonyl compounds Chemie Linz Gesellschaft m.b.H. (AT) 1985-07-10 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 (4 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-20060106181-A1 Method for producing allyl compound, and ether or ester compound produced thereby AGPAT5, TST, AGPAT2 ADRB2 4789/4885ADRB1 4807/4885ADRB3 4780/4885
US-20040147757-A1 Method for producing allyl compound, and ether or ester compound produced thereby AGPAT5, TST, AGPAT2 ADRB2 4789/4885ADRB1 4807/4885ADRB3 4780/4885
US-20040073041-A1 Method for producing monocarbonyl compounds or biscarbonyl compounds or hydroxyl compounds OXER1, FHIT, HAO2 ADRB2 1128/4885ADRB1 2079/4885ADRB3 1778/4885
US-20050075518-A1 Method for producing allyl compound, and allyl compound produced thereby CCNT1, AOC3, ATL3 ADRB2 4014/4885ADRB1 3772/4885ADRB3 3143/4885

“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.