SCHEMBL7167906

SCHEMBL7167906

CCCCOC(C)([O])CC

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 3/20 0.35
HPGD P15428 2/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ATM Q13315 1/20 0.33
LPAR3 Q9UBY5 3/20 0.32
LPAR1 Q92633 2/20 0.32
LPAR2 Q9HBW0 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8005421 0.84
SCHEMBL1357038 0.79
SCHEMBL8978426 0.79 CYP3A4 (0.40) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL7640731 0.77 CYP3A4 (0.39) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL3360879 0.76 CYP3A4 (0.42) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL9349496 0.75 GGPS1 (0.47) CA1CA2LPAR3LPAR1LPAR2
SCHEMBL3290589 0.74 TSHR (0.41) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL4980904 0.74 TSHR (0.42) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL2138838 0.73 ADRB2 (0.43) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL3177179 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103739747-A Rare earth catalyst composition and 3,4-polyisoprene used for isoprene compound CHANGCHUN APPLIED CHEMISTRY 2014-04-23 CN claimed
CN-103724378-A Isoprene-butadiene bipolymer and preparation method thereof CHANGCHUN APPLIED CHEMISTRY 2014-04-16 CN claimed
CN-107828005-A A kind of method for synthesizing butadiene-isoprene homopolymer and copolymer 青岛瑞林材料科技有限公司 2018-03-23 CN disclosed
CN-107722179-A A kind of preparation method of butadiene-isoprene homopolymer and copolymer 青岛瑞林材料科技有限公司 2018-02-23 CN disclosed
US-9670232-B2 Molecular precursor compounds for zinc-group 13 mixed oxide materials TRANSTRON SOLUTIONS LLC (US) 2017-06-06 US disclosed
CN-103724378-B Isoprene-butadiene bipolymer and preparation method thereof 中国科学院长春应用化学研究所 2017-04-19 CN disclosed
EP-3102541-A1 MOLECULAR PRECURSOR COMPOUNDS FOR INDIUM GALLIUM ZINC OXIDE MATERIALS TRANSTRON SOLUTIONS LLC (US) 2016-12-14 EP disclosed
US-9455142-B2 Molecular precursor compounds for ABIGZO zinc-group 13 mixed oxide materials TRANSTRON SOLUTIONS LLC (US) 2016-09-27 US disclosed
US-9404002-B2 Molecular precursor compounds for indium gallium zinc oxide materials TRANSTRON SOLUTIONS LLC (US) 2016-08-02 US disclosed
CN-103739747-B Rare earth catalyst combination and the 3,4-for isoprene compounds thereof are polymerized CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2016-06-01 CN disclosed
US-20150221772-A1 MOLECULAR PRECURSOR COMPOUNDS FOR ABIZO ZINC-GROUP 13 MIXED OXIDE MATERIALS PRECURSOR ENERGETICS, INC. (US) 2015-08-06 US disclosed
US-5064818-A PESTICIDAL PYRIMIDINYL (THIONO) (THIO)-PHOSPHORIC (PHOSPHONIC)ACID (AMIDE) ESTERS BAYER AKTIENGESELLSCHAFT (DE) 1991-11-12 US disclosed
EP-0395968-A1 (Thiono) (thio)pyrimidyl-phosphonyl (phosphonic) ester (amid) BAYER AG (DE) 1990-11-07 EP disclosed
EP-0213377-B1 PHOSPHORIC (PHOSPHONIC) ACID ESTERS BAYER AG (DE) 1989-02-15 EP disclosed
EP-0167894-B1 PHOSPHORIC-ACID ESTERS BAYER AG (DE) 1988-09-14 EP disclosed
US-4665061-A Certain (O-pyrid-2-yl)-5-trifluormethyl phosphoric, thiophosphoric, dithiophosphoric, phosphoramidic, thiophosphoramidic esters having insecticidal or nematocidal properties BAYER AKTIENGESELLSCHAFT (DE) 1987-05-12 US disclosed
EP-0213377-A1 Phosphoric (phosphonic) acid esters BAYER AG (DE) 1987-03-11 EP disclosed
EP-0173857-A1 Fungicidal agent based on phosphoryloximinoacetamide BAYER AG (DE) 1986-03-12 EP disclosed
EP-0132676-A2 Phosphoric or phosphonic acid esters BAYER AG (DE) 1985-02-13 EP disclosed
EP-0100476-A2 Phosphoric-acid esters, process for their preparation and their use as pesticides BAYER AG (DE) 1984-02-15 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-20150221772-A1 MOLECULAR PRECURSOR COMPOUNDS FOR ABIZO ZINC-GROUP 13 MIXED OXIDE MATERIALS IKZF3, ZRANB2, ZFR CYP3A4 470/4885ADRB2 2300/4885ADRB1 3289/4885

“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.