SCHEMBL1735131

SCHEMBL1735131

CCCC(=O)OP(=O)(OCC)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 2/20 0.36
TP53 P04637 1/20 0.36
PPARD Q03181 2/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CYP3A4 P08684 2/20 0.33
FFAR3 O14843 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
MEN1 O00255 1/20 0.33
NR1I2 O75469 1/20 0.33

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
SCHEMBL7507275 0.91 TSHR (0.55) TSHRALDH1A1TDP1TP53PPARD
SCHEMBL31121629 0.89 CYP3A4 (0.53) TSHRALDH1A1CYP3A4
SCHEMBL4266926 0.88 TSHR (0.46) TSHRALDH1A1LMNATP53CES2
SCHEMBL6670269 0.87 TSHR (0.50) TSHRLMNATDP1TP53PPARD
SCHEMBL1117108 0.86 ALDH1A1 (0.55) TSHRALDH1A1LMNACES2CES1
SCHEMBL28755999 0.86 DGKA (0.47) TSHRLMNA
SCHEMBL28156891 0.85 ALDH1A1 (0.44) TSHRALDH1A1LMNAPPARDCES2
SCHEMBL4275995 0.84 DGKA (0.50) LMNACES2CES1
SCHEMBL4598746 0.84 ALDH1A1 (0.52) TSHRALDH1A1LMNACES2CES1
SCHEMBL7507280 0.83 TSHR (0.46) TSHRALDH1A1LMNATDP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118139862-A Nitrogen-containing heterocyclic compound and medical application thereof 中国医药研究开发中心有限公司 2024-06-04 CN disclosed
CN-118119629-A Nitrogen-containing heterocyclic compound and medical application thereof 中国医药研究开发中心有限公司 2024-05-31 CN disclosed
CN-112566637-A GLP-1 receptor agonists and uses thereof 辉瑞公司 2021-03-26 CN disclosed
CN-112533674-A GLP-1 receptor agonists and uses thereof 辉瑞公司 2021-03-19 CN disclosed
EP-3020700-B1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2019-04-24 EP disclosed
US-10077401-B2 Polymerizable compound, polymerizable composition and liquid crystal display device JNC CORPORATION (JP) 2018-09-18 US disclosed
EP-0881221-B1 DIOXANE DERIVATIVES, LIQUID-CRYSTAL COMPOSITIONS CONTAINING THE SAME, AND LIQUID-CRYSTAL DISPLAY DEVICES MADE BY USING THE SAME JNC CORP (JP) 2016-06-29 EP disclosed
US-20160152895-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-06-02 US disclosed
EP-3020700-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2016-05-18 EP disclosed
EP-2336217-B1 POLYESTER POLYMERIZATION CATALYST AND METHOD FOR PRODUCING POLYESTER USING SAME TORAY INDUSTRIES (JP) 2015-01-14 EP disclosed
EP-0272583-B1 5-SUBSTITUTED AMINO-4-HYDROXY-PENTENOIC ACID DERIVATIVES AND THEIR USE Banyu Pharmaceutical Co., Ltd. (JP) 1993-09-15 EP disclosed
US-5240924-A Dipeptide hypotensives BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-31 US disclosed
EP-0527185-A1 AMETHOPTERIN(METHOTREXATE) PRO-DRUGS, INTERMEDIATE PRODUCTS, A PREPARATION METHOD, AND COMPOSITIONS CONTAINING THEM. UNIV BRETAGNE OCCIDENTALE (FR) 1993-02-17 EP disclosed
US-5122523-A Hypotensive agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-06-16 US disclosed
WO-1991016330-A1 AMETHOPTERIN(METHOTREXATE) PRO-DRUGS, INTERMEDIATE PRODUCTS, A PREPARATION METHOD, AND COMPOSITIONS CONTAINING THEM UNIVERSITE DE BRETAGNE OCCIDENTALE (FR) 1991-10-31 WO disclosed
US-4927565-A HYPOTENSIVE AGENT BANYU PHARMACEUTICAL CO., LTD. (JP) 1990-05-22 US disclosed
US-4851387-A RENIN INHIBITORS BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-07-25 US disclosed
EP-0309766-A2 N-acylamino acid derivatives and their use BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-04-05 EP disclosed
EP-0272583-A2 5-Substituted amino-4-hydroxy-pentenoic acid derivatives and their use Banyu Pharmaceutical Co., Ltd. (JP) 1988-06-29 EP disclosed
EP-0264106-A2 5-Substituted amino-4-hydroxy-pentanoic acid derivatives and their use Banyu Pharmaceutical Co., Ltd. (JP) 1988-04-20 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 (2 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-20160152895-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CCDC47, NCAPD2, CCDC22 TSHR 4548/4885ALDH1A1 4340/4885LMNA 1891/4885
US-10077401-B2 Polymerizable compound, polymerizable composition and liquid crystal display device CCDC47, NCAPD2, CCDC22 TSHR 4548/4885ALDH1A1 4340/4885LMNA 1891/4885

“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.