Sugi Predict

Sugi Predict / Compounds / SCHEMBL4041677

SCHEMBL4041677

SCHEMBL4041677

CCCCOC(=O)C(C)CO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.52
▸ ATM Q13315 1/20 0.48
▸ TSHR P16473 4/20 0.45
▸ HPGD P15428 2/20 0.45
▸ HCAR2 Q8TDS4 1/20 0.42
▸ NAAA Q02083 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ EPHX1 P07099 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL1421691 0.86 HCAR2 (0.39) ALDH1A1TSHRHCAR2TDP1SMN1; SMN2
SCHEMBL1557964 0.84 ALDH1A1 (0.54) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL13541256 0.84 ALDH1A1 (0.54) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL310458 0.84 ALDH1A1 (0.54) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL16826935 0.84 ALDH1A1 (0.54) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL8954874 0.84 ALDH1A1 (0.54) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL6738627 0.83 ALDH1A1 (0.48) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL1471817 0.83 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL6234940 0.83 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL6738005 0.83 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046634-B2 High-purity carboxylic acid ester and method for producing same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-06-29 — — US claimed
US-20180273465-A1 HIGH-PURITY CARBOXYLIC ACID ESTER AND METHOD FOR PRODUCING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2018-09-27 — — US claimed
CN-108137476-A High-purity carboxylate and its manufacturing method 三菱瓦斯化学株式会社 2018-06-08 — — CN claimed
US-12281347-B2 Method for producing 3-hydroxyisobutyric acid ester and methacrylic ester MITSUBISHI CHEMICAL CORPORATION (JP) 2025-04-22 — — US disclosed
CN-111819284-B Method for producing 3-hydroxyisobutyrate and methacrylate 三菱化学株式会社 2024-03-08 — — CN disclosed
US-11046634-B2 High-purity carboxylic acid ester and method for producing same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-06-29 — — US disclosed
EP-3760725-A1 METHOD FOR PRODUCING 3-HYDROXYISOBUTYRIC ACID ESTER AND METHACRYLIC ESTER Mitsubishi Chemical Corporation (JP) 2021-01-06 — — EP disclosed
US-20200392546-A1 Method for Producing 3-Hydroxyisobutyric Acid Ester and Methacrylic Ester MITSUBISHI CHEMICAL CORPORATION (JP) 2020-12-17 — — US disclosed
CN-111819284-A Process for producing 3-hydroxyisobutyrate and methacrylate 三菱化学株式会社 2020-10-23 — — CN disclosed
US-20180273465-A1 HIGH-PURITY CARBOXYLIC ACID ESTER AND METHOD FOR PRODUCING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2018-09-27 — — US disclosed
CN-108137476-A High-purity carboxylate and its manufacturing method 三菱瓦斯化学株式会社 2018-06-08 — — CN disclosed
US-8703100-B2 Modified pyrazine derivatives and uses thereof Medibeacon, LLC (US) 2014-04-22 — — US disclosed
US-7547501-B2 Photoactive compounds AZ ELECTRONIC MATERIALS USA CORP. (US) 2009-06-16 — — US disclosed
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 — — EP disclosed
US-20080085463-A1 PHOTOACTIVE COMPOUNDS AZ ELECTRONICS MATERIALS USA CORP. 2008-04-10 — — US disclosed
US-20040043903-A1 Herbicides; applying to plants BASF AKTIENGESELLSCHAFT (DE) 2004-03-04 — — US disclosed
US-20040023807-A1 3-Arylisothiazoles and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2004-02-05 — — US disclosed
US-20030216257-A1 1-aryl-4-alkyl halide-2(1h)-pyridones and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-11-20 — — US disclosed
EP-1289970-A1 3-ARYLISOTHIAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2003-03-12 — — EP disclosed
WO-2001087863-A1 3-ARYLISOTHIAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-11-22 — — 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 (3 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-20040023807-A1 3-Arylisothiazoles and their use as herbicides DDT, HAX1, SULT1E1 ALDH1A1 142/4885ATM 3118/4885TSHR 762/4885
US-20040043903-A1 Herbicides; applying to plants DDT, DRD1, DRD4 ALDH1A1 171/4885ATM 3813/4885TSHR 1003/4885
US-20030216257-A1 1-aryl-4-alkyl halide-2(1h)-pyridones and their use as herbicides CYP1B1, DDT, CYP1A1 ALDH1A1 15/4885ATM 3103/4885TSHR 706/4885

“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.