SCHEMBL1124516

SCHEMBL1124516

O=C(O)/C=C/c1ccc(Cl)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 9/20 0.62
ITGB2 P05107 1/20 0.61
ICAM1 P05362 1/20 0.61
ITGAL P20701 1/20 0.61
KDM4E B2RXH2 2/20 0.58
HSD17B10 Q99714 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
CA12 O43570 2/20 0.58
AKR1B10 O60218 2/20 0.58
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA3 P07451 2/20 0.58
AKR1B1 P15121 2/20 0.58
CA4 P22748 2/20 0.58
CA6 P23280 2/20 0.58
DPP4 P27487 2/20 0.58
CA5A P35218 2/20 0.58
CA7 P43166 2/20 0.58
CA9 Q16790 2/20 0.58
CA14 Q9ULX7 2/20 0.58

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
SCHEMBL7828903 1.00 PYGL (0.62) PYGLITGB2ICAM1ITGALKDM4E
SCHEMBL1124517 1.00 PYGL (0.62) PYGLITGB2ICAM1ITGALKDM4E
SCHEMBL11461864 0.98 PYGL (0.60) PYGLITGB2ICAM1ITGALKDM4E
SCHEMBL27560903 0.98 PYGL (0.60) PYGLITGB2ICAM1ITGALKDM4E
Hydrochloric Acid SCHEMBL6821828 0.98 PYGL (0.60) PYGLITGB2ICAM1ITGALKDM4E
SCHEMBL27560902 0.98 PYGL (0.60) PYGLITGB2ICAM1ITGALKDM4E
SCHEMBL7622126 0.87 CYP1A2 (0.54) PYGLITGB2ICAM1ITGALHSD17B10
SCHEMBL7622123 0.87 CYP1A2 (0.54) PYGLITGB2ICAM1ITGALHSD17B10
SCHEMBL6022866 0.85 KDM4E (0.70) ITGB2ICAM1ITGALKDM4EHSD17B10
SCHEMBL2260712 0.85 KDM4E (0.70) ITGB2ICAM1ITGALKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118930859-A Cinnamic acid modified polyarylene sulfide and preparation method thereof 新凝合科技(成都)有限公司 2024-11-12 CN claimed
CN-109725089-B Gas chromatography-mass spectrometry combined method for determining three trace halogenated cinnamic acids in rice 丁立平 2021-05-14 CN claimed
CN-109265458-B Matrine-based antitumor drug compound 中国医学科学院药用植物研究所 2020-09-15 CN claimed
CN-109725089-A The gas chromatography-mass spectrometry of three kinds of halogenated cinnamic acids of trace in a kind of measurement rice 丁立平 2019-05-07 CN claimed
CN-109265458-A A kind of antineoplastic compounds based on matrine 中国医学科学院药用植物研究所 2019-01-25 CN claimed
US-20180105492-A1 COMPOUNDS DERIVED FROM 3-ALKYLAMINE-1H-INDOLYL ACRYLATE AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES FUNDACION PARA LA INVESTIGACION BIOMEDICA DEL HOSPITAL UNIVERSITARIO DE LA PRINCESA (ES) 2018-04-19 US claimed
EP-3208262-A1 COMPOUNDS DERIVED FROM 3-ALKYLAMINO-1H-INDOLE ACRYLATE, AND THE USE THEREOF IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Fundación Para La Investigación Biomédica Del Hospital De La Princesa (ES) 2017-08-23 EP claimed
EP-1429768-B1 NOVEL MEDICAMENTS FOR INHALATION BOEHRINGER INGELHEIM PHARMA (DE) 2016-11-16 EP claimed
US-7732625-B2 Colorant compounds XEROX CORPORATION (US) 2010-06-08 US claimed
US-7311767-B2 Forming a salt of a liquid phase change ink carrier of stearyl stearamide, an amine substituted Xanthene, acridine, anthracene or thioxanthene chromogen, and a metal salt capable of forming a compound with two chromogens XEROX CORPORATION (US) 2007-12-25 US claimed
US-20060020141-A1 Metallized dye XEROX CORPORATION 2006-01-26 US claimed
US-20060000778-A1 high-performance membrane designed for the selective removal of a polar fluid (water) from less polar fluids (organic solvents), by a pervaporation using a composite membrane contaiing ultrafiltration membrane as support ( e.g. cellulose acetate) and a crosslinked copolymer of anionic, cationic monomers MCMASTER UNIVERSITY (CA) 2006-01-05 US claimed
US-20050256149-A1 Pharmaceutical compositions containing tiotropium salts and low-solubility salmeterol salts BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-11-17 US claimed
WO-2005102503-A1 PERVAPORATION COMPOSITE MEMBRANES MCMASTER UNIVERSITY (CA) 2005-11-03 WO claimed
US-6946025-B2 Process for preparing tetra-amide compounds XEROX CORPORATION (US) 2005-09-20 US claimed
US-6919325-B2 Respiratory system disorders; synergistic mixtures BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-07-19 US claimed
US-20050090690-A1 Process for preparing tetra-amide compounds XEROX CORPORATION 2005-04-28 US claimed
EP-1429768-A1 NOVEL MEDICAMENTS FOR INHALATION Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-06-23 EP claimed
US-20030130300-A1 Respiratory system disorders; synergistic mixtures BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-07-10 US claimed
WO-2003024452-A1 NOVEL MEDICAMENTS FOR INHALATION BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-03-27 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20050256149-A1 Pharmaceutical compositions containing tiotropium salts and low-solubility salmeterol salts ADRB3, ADRB1, HSD3B1 PYGL 2663/4885ITGB2 3626/4885ICAM1 4601/4885
US-20060020141-A1 Metallized dye CDYL, CDY1; CDY1B, CDYL2 PYGL 2267/4885ITGB2 1712/4885ICAM1 2674/4885
US-20180105492-A1 COMPOUNDS DERIVED FROM 3-ALKYLAMINE-1H-INDOLYL ACRYLATE AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES NFE2L2, KEAP1, HTT PYGL 4724/4885ITGB2 4591/4885ICAM1 613/4885
US-20050090690-A1 Process for preparing tetra-amide compounds TAF9, TAF5, TAF1 PYGL 1969/4885ITGB2 3895/4885ICAM1 3848/4885
US-20030130300-A1 Respiratory system disorders; synergistic mixtures ADRB3, ADRB1, CHRM3 PYGL 2300/4885ITGB2 4472/4885ICAM1 4676/4885

“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.