SCHEMBL340194

SCHEMBL340194

Cn1c(=O)c2[nH]c(CC(=O)O)nc2n(C)c1=O

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.69
CYP2C19 P33261 2/20 0.69
CYP1A2 P05177 1/20 0.69
POLB P06746 2/20 0.64
HSD17B10 Q99714 2/20 0.62
CYP3A4 P08684 1/20 0.62
CASP1 P29466 1/20 0.62
CASP7 P55210 1/20 0.62
KDM4E B2RXH2 1/20 0.57
PABPC1 P11940 1/20 0.56
TSHR P16473 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
RXFP1 Q9HBX9 1/20 0.54
ADORA2A P29274 1/20 0.51
ADORA1 P30542 1/20 0.51

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
SCHEMBL1705540 0.97 ALDH1A1 (0.66) ALDH1A1CYP2C19CYP1A2POLBHSD17B10
Acetic Acid SCHEMBL3776954 0.97 ALDH1A1 (0.66) ALDH1A1CYP2C19CYP1A2POLBHSD17B10
SCHEMBL489728 0.94 ALDH1A1 (0.63) ALDH1A1CYP2C19CYP1A2POLBHSD17B10
SCHEMBL5718021 0.87 POLB (0.62) ALDH1A1CYP2C19CYP1A2POLBHSD17B10
SCHEMBL4311418 0.85 POLB (0.61) ALDH1A1CYP2C19CYP1A2POLBHSD17B10
SCHEMBL3389758 0.85 ALDH1A1 (0.82) ALDH1A1CYP2C19CYP1A2POLBHSD17B10
SCHEMBL6153958 0.84 ALDH1A1 (0.51) ALDH1A1CYP2C19CYP1A2POLBHSD17B10
SCHEMBL925084 0.83 ALDH1A1 (0.92) ALDH1A1CYP2C19CYP1A2POLBHSD17B10
SCHEMBL3368846 0.83 POLB (0.69) ALDH1A1CYP2C19CYP1A2POLBHSD17B10
SCHEMBL18338822 0.83 ALDH1A1 (0.50) ALDH1A1CYP2C19CYP1A2POLBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5595741-A Aminoalkylmaleimides and hapten and antigen derivatives derived therefrom as well as conjugates with peptides or proteins BOEHRINGER MANNHEIM GMBH (DE) 1997-01-21 US claimed
CN-117320685-A Composition for skin protection comprising an antimicrobial agent and a (bio) -alkanediol 西姆莱斯股份公司 2023-12-29 CN disclosed
CN-116685300-A Composition comprising one or more (bio) -alkanediols with an antioxidant 西姆莱斯股份公司 2023-09-01 CN disclosed
US-20230265268-A1 THERMOPLASTIC ELASTOMER COMPOSITION POLYMAX THERMOPLASTIC ELASTOMERS, LLC 2023-08-24 US disclosed
CN-116583257-A Compositions comprising (bio) -alkanediols 西姆莱斯股份公司 2023-08-11 CN disclosed
US-20230233516-A1 HIGH PENETRATION COMPOSITIONS AND THEIR APPLICATIONS TECHFIELDS PHARMA CO., LTD (CN) 2023-07-27 US disclosed
US-11541029-B2 High penetration compositions and their applications TECHFIELDS PHARMA CO., LTD. (CN) 2023-01-03 US disclosed
US-8097602-B1 Method of treating body insect infestation HOST PHARMACEUTICALS, LLC (US) 2012-01-17 US disclosed
US-20110269689-A1 HIGH PENETRATION COMPOSITIONS AND THEIR APPLICATIONS PREMIER RESEARCH INTERNATIONAL, LLC 2011-11-03 US disclosed
EP-2370406-A1 HIGH PENETRATION COMPOSITIONS AND THEIR APPLICATIONS Yu, Chongxi (US) 2011-10-05 EP disclosed
US-4614823-A FOR DETERMINATION OF LIGANDS IN BIOLOGICAL FLUIDS ABBOTT LABORATORIES (US) 1986-09-30 US disclosed
EP-0195320-A2 Diagnostic assay using microperoxidase ABBOTT LABORATORIES (US) 1986-09-24 EP disclosed
US-4581359-A FOR BRONCHOPULMONARY INSUFFUCIENCY THE STATE OF OREGON ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) 1986-04-08 US disclosed
US-4510251-A Fluorescent polarization assay for ligands using aminomethylfluorescein derivatives as tracers ABBOTT LABORATORIES (US) 1985-04-09 US disclosed
EP-0110186-A1 Aminomethylfluorescein derivatives ABBOTT LABORATORIES (US) 1984-06-13 EP disclosed
US-4451652-A Substituted theophylline salts ABBOTT LABORATORIES (US) 1984-05-29 US disclosed
US-4425345-A XANTHINE SOLUBILIZER SMITH AND NEPHEW ASSOCIATED COMPANIES LIMITED (GB) 1984-01-10 US disclosed
US-4425346-A ANTIGLAUCOMA AGENTS SMITH AND NEPHEW ASSOCIATED COMPANIES LIMITED (GB) 1984-01-10 US disclosed
EP-0045617-A2 Pharmaceutical composition Smith and Nephew Associated Companies p.l.c. (GB) 1982-02-10 EP disclosed
US-4060617-A Esters of the ophyllinylacetic acid Wulfing, Johann A. (DT) 1977-11-29 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 (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-20110269689-A1 HIGH PENETRATION COMPOSITIONS AND THEIR APPLICATIONS SLC19A1, HIRA, SLC43A1 ALDH1A1 829/4885CYP2C19 236/4885CYP1A2 367/4885
US-11541029-B2 High penetration compositions and their applications SLC19A1, HIRA, SLC43A1 ALDH1A1 829/4885CYP2C19 236/4885CYP1A2 367/4885
US-20230233516-A1 HIGH PENETRATION COMPOSITIONS AND THEIR APPLICATIONS SLC5A7, SLC19A1, SLC43A1 ALDH1A1 2302/4885CYP2C19 202/4885CYP1A2 483/4885

“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.