SCHEMBL4653585

SCHEMBL4653585

CCCCC(C)N1CCCC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA13 Q8N1Q1 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
CHRM2 P08172 2/20 0.43
CHRM4 P08173 2/20 0.43
CHRM5 P08912 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
PIK3CD O00329 1/20 0.42
BRD4 O60885 1/20 0.36

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
SCHEMBL23888657 0.95 LMNA (0.46) LMNACA12CA1CA2CA3
SCHEMBL8063903 0.93 LMNA (0.45) LMNACA12CA1CA2CA3
SCHEMBL8333329 0.93 LMNA (0.45) LMNACA12CA1CA2CA3
SCHEMBL21596444 0.93 LMNA (0.45) LMNACA12CA1CA2CA3
SCHEMBL19865819 0.89 LMNA (0.50) LMNACA12CA1CA2CA3
SCHEMBL28354803 0.87 LMNA (0.40) LMNACA12CA1CA2CA3
SCHEMBL20761405 0.84 LMNA (0.45) LMNACA12CA1CA2CA3
SCHEMBL26231525 0.83 LMNA (0.45) LMNACA12CA1CA2CA3
SCHEMBL23030500 0.82 LMNA (0.47) LMNACA12CA1CA2CA3
SCHEMBL27043456 0.82 LMNA (0.44) LMNACA12CA1CA2CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4198037-A1 MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS Vertex Pharmaceuticals Incorporated (US) 2023-06-21 EP disclosed
US-20230148590-A1 Aqueous Formulations of Dicamba BASF CORPORATION 2023-05-18 US disclosed
EP-4125365-A1 AQUEOUS FORMULATIONS OF DICAMBA BASF Corporation (US) 2023-02-08 EP disclosed
CN-115426880-A Aqueous formulations of dicamba 巴斯夫公司 2022-12-02 CN disclosed
WO-2021198458-A1 AQUEOUS FORMULATIONS OF DICAMBA BASF CORPORATION (US) 2021-10-07 WO disclosed
EP-1606253-A4 PRODUCTION OF 5-METHYL-N-ARYL-2-PYRROLIDONE AND 5-METHYL-N-ALKYL-2-PYRROLIDONE BY REDUCTIVE AMINATION OF LEUVLINIC ACID ESTERS WITH NITRO COMPOUNDS DU PONT (US) 2008-03-05 EP disclosed
US-7244443-B2 Polymers of fluorinated monomers and hydrophilic monomers ADVANCED CARDIOVASCULAR SYSTEMS, INC. (US) 2007-07-17 US disclosed
EP-1606253-A1 PRODUCTION OF 5-METHYL-N-ARYL-2-PYRROLIDONE AND 5-METHYL-N-ALKYL-2-PYRROLIDONE BY REDUCTIVE AMINATION OF LEUVLINIC ACID ESTERS WITH NITRO COMPOUNDS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2005-12-21 EP disclosed
WO-2004085390-A1 PRODUCTION OF 5-METHYL-N-ARYL-2-PYRROLIDONE AND 5-METHYL-N-ALKYL-2-PYRROLIDONE BY REDUCTIVE AMINATION OF LEUVLINIC ACID ESTERS WITH NITRO COMPOUNDS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2004-10-07 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 (1 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-20230148590-A1 Aqueous Formulations of Dicamba BOLA2; BOLA2B, CIP2A, AQP1 LMNA 1513/4885CA12 354/4885CA1 1066/4885

“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.