SCHEMBL4886847

SCHEMBL4886847

CCCCC(C)C(=O)N(C)C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.48
ALDH1A1 P00352 1/20 0.43
PDF Q9HBH1 4/20 0.41
FDPS P14324 2/20 0.41
CA2 P00918 6/20 0.40
MAPK1 P28482 1/20 0.40
ACE2 Q9BYF1 1/20 0.39
SLC15A1 P46059 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA4 P43681 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
SCHEMBL21548738 1.00 CA1 (0.48) CA1ALDH1A1PDFFDPSCA2
SCHEMBL8938931 0.93 CA1 (0.57) CA1ALDH1A1FDPSACE2
SCHEMBL6117872 0.91 CA1 (0.55) CA1FDPSACE2
SCHEMBL6117421 0.91 CA1 (0.55) CA1FDPSACE2
SCHEMBL23055054 0.88 CA1 (0.43) CA1ALDH1A1PDFACE2CHRNB2
SCHEMBL15314112 0.86 CHRM1 (0.39) CA1ALDH1A1FDPSACE2CHRNB2
SCHEMBL6116358 0.86 CHRM1 (0.39) CA1ALDH1A1FDPSACE2CHRNB2
SCHEMBL23055048 0.86 CA1 (0.41) CA1ACE2CHRNB2CHRNB4CHRNA4
SCHEMBL15314113 0.86 CHRM1 (0.39) CA1ALDH1A1FDPSACE2CHRNB2
Hydrochloric Acid SCHEMBL6502387 0.84 CHRM1 (0.37) CA1ALDH1A1PDFFDPSMAPK1

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
US-20240092122-A1 ADDITIVES IN RUBBER FORMULATIONS BASF SE (DE) 2024-03-21 US disclosed
CN-116685475-A Additives in rubber formulations 巴斯夫欧洲公司 2023-09-01 CN disclosed
US-10668033-B2 Modulators of the prostacyclin (PGI2) receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2020-06-02 US disclosed
US-20170360730-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2017-12-21 US disclosed
EP-1864977-B1 NOVEL CYCLIC COMPOUND HAVING PYRIMIDINYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2015-07-29 EP disclosed
EP-2460802-B1 TRIFLUOROMETHYLTHIOPHENIUM DERIVATIVE SALTS, PROCESS FOR PRODUCTION THEREOF, AND PROCESS FOR PRODUCTION OF TRIFLUOROMETHYL-CONTAINING COMPOUNDS USING SAME NAGOYA INST TECHNOLOGY (JP) 2014-09-03 EP disclosed
US-8703969-B2 Trifluoromethylthiophenium derivative salt, method for producing the same, and method for producing trifluoromethyl-containing compounds using the same NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2014-04-22 US disclosed
EP-2460802-A1 TRIFLUOROMETHYLTHIOPHENIUM DERIVATIVE SALTS, PROCESS FOR PRODUCITON THEREOF, AND PROCESS FOR PRODUCTION OF TRIFLUOROMETHYL-CONTAINING COMPOUNDS USING SAME Nagoya Institute of Technology (JP) 2012-06-06 EP disclosed
US-20120130090-A1 TRIFLUOROMETHYLTHIOPHENIUM DERIVATIVE SALT, METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING TRIFLUOROMETHYL-CONTAINING COMPOUNDS USING THE SAME TOSOH F-TECH, INC. (JP) 2012-05-24 US disclosed
US-20080293701-A1 1-Acylamino-2-Hydroxy-3-Amino- -Arylalkanes as Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2008-11-27 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 (4 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-20170360730-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO PTGIR, PTGIS, TBXA2R CA1 4188/4885ALDH1A1 2567/4885PDF 1403/4885
US-10668033-B2 Modulators of the prostacyclin (PGI2) receptor useful for the treatment of disorders related thereto PTGIR, PTGIS, TBXA2R CA1 4188/4885ALDH1A1 2567/4885PDF 1403/4885
US-20120130090-A1 TRIFLUOROMETHYLTHIOPHENIUM DERIVATIVE SALT, METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING TRIFLUOROMETHYL-CONTAINING COMPOUNDS USING THE SAME TST, CBR3, CYP4B1 CA1 2555/4885ALDH1A1 3183/4885PDF 4466/4885
US-20080293701-A1 1-Acylamino-2-Hydroxy-3-Amino- -Arylalkanes as Renin Inhibitors REN, AGTR1, AGTR2 CA1 4805/4885ALDH1A1 173/4885PDF 2238/4885

“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.