SCHEMBL2166231

SCHEMBL2166231

CC(=O)OCCCCCO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
ACHE P22303 6/20 0.50
LMNA P02545 2/20 0.47
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
TSHR P16473 3/20 0.44
CHRM5 P08912 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
PGR P06401 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
HTR1A P08908 1/20 0.44
CHRNB2 P17787 1/20 0.44
TBXA2R P21731 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL28557072 1.00 ALDH1A1 (0.58) ALDH1A1ACHELMNAAPOBEC3AAPOBEC3G
SCHEMBL1263280 1.00 ALDH1A1 (0.58) ALDH1A1ACHELMNAAPOBEC3AAPOBEC3G
SCHEMBL6060468 1.00 ALDH1A1 (0.58) ALDH1A1ACHELMNAAPOBEC3AAPOBEC3G
SCHEMBL11782337 1.00 ALDH1A1 (0.58) ALDH1A1ACHELMNAAPOBEC3AAPOBEC3G
SCHEMBL6060605 1.00 ALDH1A1 (0.58) ALDH1A1ACHELMNAAPOBEC3AAPOBEC3G
SCHEMBL6060753 1.00 ALDH1A1 (0.58) ALDH1A1ACHELMNAAPOBEC3AAPOBEC3G
SCHEMBL20067030 1.00 ALDH1A1 (0.58) ALDH1A1ACHELMNAAPOBEC3AAPOBEC3G
SCHEMBL6060438 1.00 ALDH1A1 (0.58) ALDH1A1ACHELMNAAPOBEC3AAPOBEC3G
SCHEMBL763021 1.00 ALDH1A1 (0.58) ALDH1A1ACHELMNAAPOBEC3AAPOBEC3G
SCHEMBL11781090 1.00 ALDH1A1 (0.58) ALDH1A1ACHELMNAAPOBEC3AAPOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110256344-B Preparation method of impurity W in cisatracurium besilate 江苏盈科生物制药有限公司 2022-04-01 CN claimed
CN-110256344-A A kind of preparation method of benzene sulphur along impurity W in atracurium 江苏盈科生物制药有限公司 2019-09-20 CN claimed
US-8461135-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US claimed
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US claimed
US-7211414-B2 Enzymatic nucleic acid synthesis: compositions and methods for altering monomer incorporation fidelity VISIGEN BIOTECHNOLOGIES, INC. (US) 2007-05-01 US claimed
US-20250074887-A1 PHARMACEUTICAL COMPOSITIONS OF 6-(2-(2H-TETRAZOL-5-YL)ETHYL)DECAHYDROISOQUINOLINE-3-CARBOXYLIC ACID AND DERIVATIVES THEREOF Sea Pharmaceuticals LLC. (US) 2025-03-06 US disclosed
CN-115461055-B Prodrugs of neuroactive steroids 腾盛博药生物科技有限公司 2025-01-28 CN disclosed
CN-118510877-A Cleaning composition for pretreatment of metal substrates, method for the production thereof and use thereof 巴斯夫涂料有限公司 2024-08-16 CN disclosed
US-20230416298-A1 PRODRUGS OF NEUROACTIVE STEROIDS BRII BIOSCIENCES, INC. 2023-12-28 US disclosed
WO-2023131530-A1 A CLEANING COMPOSITION FOR METAL SUBSTRATES PRETREATMENT AND ITS PREPARATION METHOD AND APPLICATION THEREOF BASF COATINGS GMBH (DE) 2023-07-13 WO disclosed
WO-2023130008-A2 PHARMACEUTICAL COMPOSITIONS OF 6-(2-(2H-TETRAZOL-5-YL)ETHYL)DECAHYDROISOQUINOLINE-3-CARBOXYLIC ACID AND DERIVATIVES THEREOF SEA PHARMACEUTICALS LLC (US) 2023-07-06 WO disclosed
WO-2023130008-A2 PHARMACEUTICAL COMPOSITIONS OF 6-(2-(2H-TETRAZOL-5-YL)ETHYL)DECAHYDROISOQUINOLINE-3-CARBOXYLIC ACID AND DERIVATIVES THEREOF SEA PHARMACEUTICALS LLC (US) 2023-07-06 WO disclosed
EP-0524401-B1 Thiazolazo dyestuffs with a coupling component of the diphenylamine series BASF AG (DE) 1996-08-21 EP disclosed
EP-0382213-B1 Biphenyl derivative, nerve cell degeneration repairing or protecting agent and process for preparing a phenyl derivative contained in the agent OTSUKA PHARMA CO LTD (JP) 1995-05-10 EP disclosed
US-RE34722-E Antiulcer agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US disclosed
US-5298610-A Thiazoleazo dyes having a coupling component of the diphenylamine series BASF AKTIENGESELLSCHAFT (DE) 1994-03-29 US disclosed
EP-0524401-A1 Thiazolazo dyestuffs with a coupling component of the diphenylamine series BASF Aktiengesellschaft (DE) 1993-01-27 EP disclosed
US-5053548-A Containing hydroxy substituents; nervous system disorders OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1991-10-01 US disclosed
EP-0382213-A2 Biphenyl derivative, nerve cell degeneration repairing or protecting agent and process for preparing a phenyl derivative contained in the agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed
US-4578381-A ANTIULCER AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-03-25 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 (2 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-20250074887-A1 PHARMACEUTICAL COMPOSITIONS OF 6-(2-(2H-TETRAZOL-5-YL)ETHYL)DECAHYDROISOQUINOLINE-3-CARBOXYLIC ACID AND DERIVATIVES THEREOF GABRQ, GRIK5, CYP3A7 ALDH1A1 501/4885ACHE 354/4885LMNA 1938/4885
US-20230416298-A1 PRODRUGS OF NEUROACTIVE STEROIDS NR3C1, PGR, GABRD ALDH1A1 1077/4885ACHE 1879/4885LMNA 3101/4885

“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.