SCHEMBL5407867

SCHEMBL5407867

CCOC(=O)CCCCN(CC(=O)OCC)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.55
ACHE P22303 1/20 0.55
ALOX5 P09917 1/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPK1 P28482 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
HDAC3 O15379 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
NCOR2 Q9Y618 2/20 0.51
LTA4H P09960 5/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL6659347 0.96 ALOX5 (0.59) BCHEACHEALOX5ALDH1A1MAPK1
SCHEMBL3534952 0.93 BCHE (0.54) BCHEACHEALOX5ALDH1A1MAPK1
SCHEMBL19533628 0.92 BCHE (0.53) BCHEACHEALOX5ALDH1A1MAPK1
SCHEMBL27526991 0.92 BCHE (0.56) BCHEACHEALOX5ALDH1A1MAPK1
SCHEMBL19624830 0.90 BCHE (0.67) BCHEACHEALOX5ALDH1A1MAPK1
SCHEMBL4321470 0.90 SMN1; SMN2 (0.51) BCHEACHEALOX5ALDH1A1MAPK1
SCHEMBL30311604 0.90 ALOX5 (0.55) BCHEACHEALOX5ALDH1A1MAPK1
SCHEMBL31301745 0.90 ALOX5 (0.52) BCHEACHEALOX5ALDH1A1MAPK1
SCHEMBL10848318 0.89 ALOX5 (0.51) BCHEACHEALOX5ALDH1A1MAPK1
SCHEMBL14376127 0.89 BCHE (0.70) BCHEACHEALOX5ALDH1A1MAPK1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3246317-B1 BTK INHIBITOR HUBEI BIO PHARMACEUTICAL INDUSTRIAL TECH INSTITUTE INC (CN) 2023-02-22 EP disclosed
CN-115368383-A Condensed nitrogen-containing heterocyclic compound, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-11-22 CN disclosed
CN-112824410-A Aza-heptacyclic inhibitor and preparation method and application thereof 苏州泽璟生物制药股份有限公司 2021-05-21 CN disclosed
WO-2021043322-A1 AZEPINO PYRIMIDINE DERIVATIVES AND MEDICAL USE THEREOF 正大天晴药业集团南京顺欣制药有限公司 2021-03-11 WO disclosed
US-10662174-B2 BTK inhibitor HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. (CN) 2020-05-26 US disclosed
EP-3246317-A1 BTK INHIBITOR Hubei Bio-Pharmaceutical Industrial Technological Institute Inc. (CN) 2017-11-22 EP disclosed
US-20170313683-A1 BTK INHIBITOR HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. (CN) 2017-11-02 US disclosed
US-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 EP 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-10662174-B2 BTK inhibitor BTK, SYK, LYN BCHE 3501/4885ACHE 3861/4885ALOX5 4514/4885
US-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA BCHE 3653/4885ACHE 4187/4885ALOX5 2155/4885
US-20170313683-A1 BTK INHIBITOR BTK, SYK, LYN BCHE 3501/4885ACHE 3861/4885ALOX5 4514/4885

“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.