SCHEMBL78426

SCHEMBL78426

O=C(O)/C=C/c1ccc2ccccc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.62
HDAC3 O15379 2/20 0.61
HDAC4 P56524 2/20 0.61
HDAC1 Q13547 2/20 0.61
HDAC7 Q8WUI4 2/20 0.61
HDAC2 Q92769 2/20 0.61
HDAC10 Q969S8 2/20 0.61
HDAC11 Q96DB2 2/20 0.61
HDAC8 Q9BY41 2/20 0.61
HDAC6 Q9UBN7 2/20 0.61
HDAC9 Q9UKV0 2/20 0.61
HDAC5 Q9UQL6 2/20 0.61
TNKS O95271 1/20 0.61
HCAR2 Q8TDS4 1/20 0.61
TNKS2 Q9H2K2 1/20 0.61
CYP3A4 P08684 3/20 0.59
PTPN1 P18031 3/20 0.59
RAB9A P51151 2/20 0.58
CYP1B1 Q16678 2/20 0.57
ESR1 P03372 1/20 0.57

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
SCHEMBL29966677 1.00 RELA (0.62) RELAHDAC3HDAC4HDAC1HDAC7
SCHEMBL29462468 1.00 RELA (0.62) RELAHDAC3HDAC4HDAC1HDAC7
SCHEMBL6552210 1.00 RELA (0.62) RELAHDAC3HDAC4HDAC1HDAC7
SCHEMBL78427 1.00 RELA (0.62) RELAHDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL6781505 0.98 RELA (0.60) RELAHDAC3HDAC4HDAC1HDAC7
SCHEMBL7820626 0.94 HDAC3 (0.59) RELAHDAC3HDAC4HDAC1HDAC7
SCHEMBL7820628 0.94 HDAC3 (0.59) RELAHDAC3HDAC4HDAC1HDAC7
SCHEMBL8746669 0.92 KDM4E (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL755207 0.92 KDM4E (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8746632 0.90 KDM4E (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3423429-B1 MODULATORS OF LIPOXYGENASE AND CYCLOOXYGENASE ENZYME ACTIVITY UNIV DE MONCTON (CA) 2023-07-12 EP claimed
US-20170362255-A1 LIGAND-EXCHANGEABLE NANOPARTICLES AND METHODS OF MAKING THE SAME Alliance for Energy Innovation, LLC 2017-12-21 US claimed
CN-106892911-A A kind of vascular endothelial growth factor receptor inhibitors compound 天津金耀集团有限公司 2017-06-27 CN claimed
EP-1429768-B1 NOVEL MEDICAMENTS FOR INHALATION BOEHRINGER INGELHEIM PHARMA (DE) 2016-11-16 EP claimed
US-20160161475-A1 HYBRID SEMICONDUCTING POLYMER NANOPARTICLES AS POLARIZATION-SENSITIVE FLUORESCENT PROBES UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION 2016-06-09 US claimed
US-7442836-B2 Prophylaxis of respiratory disorders and therapy, also metod of synthesis and composition with PDE4 inhibitor, corticosteroid hibitor or anticholinergic agent GLAXO GROUP LIMITED (GB) 2008-10-28 US claimed
US-20060287389-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2006-12-21 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
US-6919325-B2 Respiratory system disorders; synergistic mixtures BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-07-19 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
US-12365830-B2 Ligand-exchangeable janus nanoparticles and methods of making the same ALLIANCE FOR SUSTAINABLE ENERGY, LLC (US) 2025-07-22 US disclosed
US-20240425441-A9 MODULATORS OF LIPOXYGENASE AND CYCLOOXYGENASE ENZYME ACTIVITY ICOSA PHARMA INC. (CA) 2024-12-26 US disclosed
US-11872202-B2 Pleuromutilin cinnamic acid ester compounds with activities against antibiotic-resistant infections SHAANXI UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2024-01-16 US disclosed
US-11872202-B2 Pleuromutilin cinnamic acid ester compounds with activities against antibiotic-resistant infections SHAANXI UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2024-01-16 US disclosed
US-4608390-A ANTIINFLAMMORY, ANTIALLERGENS, ASTHMA, PSORIASIS, ARTHRITIS ABBOTT LABORATORIES (US) 1986-08-26 US disclosed
US-4234726-A ANOREXIGENIC AGENTS, MOOD MODIFIERS BEECHAM GROUP LIMITED (GB) 1980-11-18 US disclosed
US-4133883-A Polycyclic chromenes useful as antidepressants and anorexics BEECHAM GROUP LIMITED (GB) 1979-01-09 US disclosed
US-3987116-A ETHYNYLARYL COMPOUNDS AND DERIVATIVES THEREOF WILLIAM H. RORER, INC. (US) 1976-10-19 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 (6 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-20060287389-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES PHOSPHO1, PNMT, PEBP1 RELA 4296/4885HDAC3 1255/4885HDAC4 1486/4885
US-20240425441-A9 MODULATORS OF LIPOXYGENASE AND CYCLOOXYGENASE ENZYME ACTIVITY ALOX12, ALOX15B, ALOX5 RELA 728/4885HDAC3 3345/4885HDAC4 2464/4885
US-20050256149-A1 Pharmaceutical compositions containing tiotropium salts and low-solubility salmeterol salts ADRB3, ADRB1, HSD3B1 RELA 2101/4885HDAC3 2896/4885HDAC4 3336/4885
US-20170362255-A1 LIGAND-EXCHANGEABLE NANOPARTICLES AND METHODS OF MAKING THE SAME CA6, CA13, EPCAM RELA 184/4885HDAC3 2613/4885HDAC4 2195/4885
US-11872202-B2 Pleuromutilin cinnamic acid ester compounds with activities against antibiotic-resistant infections RELA, PLEC, ABL1 RELA 1/4885HDAC3 586/4885HDAC4 732/4885
US-20030130300-A1 Respiratory system disorders; synergistic mixtures ADRB3, ADRB1, CHRM3 RELA 1299/4885HDAC3 2931/4885HDAC4 3462/4885

“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.