SCHEMBL5749896

SCHEMBL5749896

CCOC(=O)CC(=O)[O-].[Mg+]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.67
MGAM O43451 1/20 0.67
SI P14410 1/20 0.67
MGAM2 Q2M2H8 1/20 0.67
ALDH1A1 P00352 4/20 0.48
TRPA1 O75762 1/20 0.48
CA4 P22748 2/20 0.43
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 2/20 0.40
SOAT1 P35610 1/20 0.40
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
Zinc Ion SCHEMBL13278766 0.95 GAA (0.67) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1068041 0.95 GAA (0.67) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3196220 0.95 GAA (0.67) GAAMGAMSIMGAM2ALDH1A1
Lithium Ion SCHEMBL3201231 0.95 GAA (0.67) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3183138 0.95 GAA (0.67) GAAMGAMSIMGAM2ALDH1A1
Lithium Ion SCHEMBL15950284 0.95 GAA (0.67) GAAMGAMSIMGAM2ALDH1A1
Potassium Ion SCHEMBL15423 0.95 GAA (0.67) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL29455991 0.95 GAA (0.67) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL13278768 0.95 GAA (0.67) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3200538 0.95 GAA (0.67) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109970697-B Synthesis method of chiral spiro [ chroman-4, 1' -indan ] molecule 南开大学 2021-10-12 CN claimed
CN-102030710-A Method for synthesizing 14 C-labeled compound of pyraoxystrobin serving as bactericide UNIV ZHEJIANG 2011-04-27 CN claimed
CN-101774972-A Method for synthesizing methoxyacrylate compound UNIV ZHEJIANG 2010-07-14 CN claimed
US-20040110957-A1 Process for the synthesis of an antiviral compound HONEYWELL INTERNATIONAL, INC. (US) 2004-06-10 US claimed
CN-1083051-A 2,6-replaces-5-fluoronicotinic alkyl acetate method for making XINHUA PHARMACEUTICAL FACTORY (CN) 1994-03-02 CN claimed
CN-116730993-A Teranavir intermediate and preparation method of Teranavir 浙江科技学院 2023-09-12 CN disclosed
CN-111527100-A Peptide antibiotics 昆士兰大学 2020-08-11 CN disclosed
CN-109970697-A The synthetic method of chiral spiral shell [chroman -4,1 '-indane] molecule 南开大学 2019-07-05 CN disclosed
CN-103917529-B 2-Thiopyrimidinones 辉瑞大药厂 2016-08-17 CN disclosed
CN-103917529-A 2-thiopyrimidinones PFIZER 2014-07-09 CN disclosed
CN-102030710-A Method for synthesizing 14 C-labeled compound of pyraoxystrobin serving as bactericide UNIV ZHEJIANG 2011-04-27 CN disclosed
CN-102030710-A Method for synthesizing 14 C-labeled compound of pyraoxystrobin serving as bactericide UNIV ZHEJIANG 2011-04-27 CN disclosed
EP-0919553-A1 cis-SUBSTITUTED AMINOCYCLOPROPANE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-06-02 EP disclosed
CN-1038933-C 2. Process for preparing 6-substituted-5-fluoronicotinic alkyl acetates XINHUA PHARMACEUTICAL FACTORY (CN) 1998-07-01 CN disclosed
US-5650410-A ANTIINFLAMMATORY AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-22 US disclosed
EP-0749426-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS, IN PARTICULAR FOR TREATING ARTHRITIS Takeda Chemical Industries, Ltd. (JP) 1996-12-27 EP disclosed
WO-1995024394-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS, IN PARTICULAR FOR TREATING ARTHRITIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-09-14 WO disclosed
CN-1083051-A 2,6-replaces-5-fluoronicotinic alkyl acetate method for making XINHUA PHARMACEUTICAL FACTORY (CN) 1994-03-02 CN disclosed
US-4871484-A Process for the preparation of 2,2-bis-chloro-methylalkanecarboxylic acid chlorides BAYER AKTIENGESELLSCHAFT (DE) 1989-10-03 US disclosed
US-4824975-A OXIDATION OF 3-/HYDROXYMETHYL/OXETANE BAYER AKTIENGESELLSCHAFT (DE) 1989-04-25 US 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-20040110957-A1 Process for the synthesis of an antiviral compound EIF2AK2, IRF3, RTF1 GAA 1169/4885MGAM 1500/4885SI 502/4885

“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.