SCHEMBL4142302

SCHEMBL4142302

CCC(CCCCCCCl)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.63
MAPK1 P28482 1/20 0.63
GRIK1 P39086 2/20 0.46
GRIK2 Q13002 2/20 0.46
SLC1A2 P43004 3/20 0.43
SLC1A1 P43005 3/20 0.43
CHRM1 P11229 1/20 0.43
AKR1A1 P14550 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CPB2 Q96IY4 4/20 0.41
GPR84 Q9NQS5 3/20 0.41

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
SCHEMBL1131871 0.91 CA2 (0.68) CA2MAPK1GRIK1GRIK2SLC1A2
SCHEMBL27901184 0.89 CA2 (0.77) CA2MAPK1GRIK1GRIK2SLC1A2
SCHEMBL14360381 0.89 CA2 (0.77) CA2MAPK1GRIK1GRIK2SLC1A2
SCHEMBL14359878 0.89 CA2 (0.77) CA2MAPK1GRIK1GRIK2SLC1A2
SCHEMBL10897254 0.87 CA2 (0.81) CA2MAPK1GRIK1GRIK2SLC1A2
SCHEMBL28696438 0.86 CHRM1 (0.64) CA2MAPK1GRIK1GRIK2SLC1A2
SCHEMBL28775299 0.86 GRIK1 (0.58) CA2MAPK1GRIK1GRIK2SLC1A2
SCHEMBL28684295 0.86 GRIK1 (0.58) CA2MAPK1GRIK1GRIK2SLC1A2
SCHEMBL5512425 0.86 CHRM1 (0.64) CA2MAPK1GRIK1GRIK2SLC1A2
SCHEMBL28705894 0.86 GRIK1 (0.58) CA2MAPK1GRIK1GRIK2SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114058173-A Process and composition for producing flexible polyurethane foams 赢创运营有限公司 2022-02-18 CN disclosed
EP-2955171-A1 MANUFACTURE PROCESS OF N-(5-CHLOROSALICYLOYL)-8-AMINOCAPRYLIC ACID Novartis AG (CH) 2015-12-16 EP disclosed
EP-1838664-B1 MANUFACTURE PROCESS OF N-SUBSTITUTED SALICYLAMIDES NOVARTIS AG (CH) 2015-07-15 EP disclosed
US-8461385-B2 Manufacture process of organic compounds NOVARTIS AG (CH) 2013-06-11 US disclosed
US-20090253811-A1 MANUFACTURE PROCESS OF ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-10-08 US disclosed
EP-1838664-A1 MANUFACTURE PROCESS OF N-SUBSTITUTED SALICYLAMIDES Novartis AG (CH) 2007-10-03 EP disclosed
WO-2006063821-A1 MANUFACTURE PROCESS OF N-SUBSTITUTED SALICYLAMIDES NOVARTIS AG (CH) 2006-06-22 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-20090253811-A1 MANUFACTURE PROCESS OF ORGANIC COMPOUNDS NT5C, AADAC, DDC CA2 77/4885MAPK1 4412/4885GRIK1 2511/4885

“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.