SCHEMBL584606

SCHEMBL584606

O=C(O)/C=C/c1cc(F)c(F)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.50
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
TNKS O95271 1/20 0.50
TNKS2 Q9H2K2 1/20 0.50
EGFR P00533 1/20 0.49
KDM4E B2RXH2 5/20 0.47
HSD17B10 Q99714 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
PKM P14618 2/20 0.47

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
SCHEMBL584607 1.00 HCAR2 (0.50) HCAR2HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL27944350 0.98 HCAR2 (0.48) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL3803618 0.88 KDM4E (0.55) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL3803622 0.88 KDM4E (0.55) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL2434127 0.85 PKM (0.55) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL1167211 0.85 HCAR2 (0.48) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL1167208 0.85 HCAR2 (0.48) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL2434129 0.85 PKM (0.55) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL16049121 0.85 PKM (0.55) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL20475356 0.83 HCAR2 (0.47) HCAR2HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1429768-B1 NOVEL MEDICAMENTS FOR INHALATION BOEHRINGER INGELHEIM PHARMA (DE) 2016-11-16 EP 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
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
CN-114591255-B Pleuromutilin derivative containing 1,2, 4-triazole acrylamide side chain and preparation method and application thereof 西安康远晟生物医药科技有限公司 2024-04-16 CN disclosed
CN-116621904-A Cinnamoyl ursodeoxycholic acid compound and preparation method, pharmaceutical composition and application thereof 中国医学科学院药用植物研究所 2023-08-22 CN disclosed
CN-116354823-A Preparation method and application of compound 武汉珈海智药科技有限公司 2023-06-30 CN disclosed
CN-114605418-A Ibrutinib acrylamide derivative with antitumor activity and synthesis method and application thereof 广东医科大学附属医院 2022-06-10 CN disclosed
CN-114591255-A Pleuromutilin derivative containing 1,2, 4-triazole acrylamide side chain as well as preparation method and application thereof 西安康远晟生物医药科技有限公司 2022-06-07 CN disclosed
CN-108912011-B Photoalignment material 罗立克科技股份公司 2021-09-24 CN disclosed
US-20060069123-A1 Substituted dipiperidine CCR2 antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2006-03-30 US disclosed
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 disclosed
US-20050256149-A1 Pharmaceutical compositions containing tiotropium salts and low-solubility salmeterol salts BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-11-17 US disclosed
US-6919325-B2 Respiratory system disorders; synergistic mixtures BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-07-19 US disclosed
US-6277502-B1 ORGANOSILICON POLYMERS; LIQUID CRYSALS ROLIC AG (CH) 2001-08-21 US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO 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-20060069123-A1 Substituted dipiperidine CCR2 antagonists CCR2, CCR1, CCR5 HCAR2 77/4885HDAC3 443/4885HDAC4 2342/4885
US-20050256149-A1 Pharmaceutical compositions containing tiotropium salts and low-solubility salmeterol salts ADRB3, ADRB1, HSD3B1 HCAR2 1873/4885HDAC3 2896/4885HDAC4 3336/4885
US-20030130300-A1 Respiratory system disorders; synergistic mixtures ADRB3, ADRB1, CHRM3 HCAR2 1526/4885HDAC3 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.