SCHEMBL6428771

SCHEMBL6428771

CCCCCC(=O)C([C]=O)CC

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.50
CES1 P23141 4/20 0.44
AKR1B1 P15121 1/20 0.43
MEN1 O00255 1/20 0.42
FAAH O00519 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
GPR84 Q9NQS5 1/20 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
SCHEMBL4460608 0.86 CES2 (0.48) CES2CES1AKR1B1MEN1FAAH
SCHEMBL136825 0.85 CES2 (0.38) CES2CES1ALDH1A1TSHR
SCHEMBL7663036 0.84 CES2 (0.52) CES2CES1
SCHEMBL11229618 0.84 CES2 (0.52) CES2CES1
SCHEMBL9868874 0.84 CES2 (0.52) CES2CES1
SCHEMBL4958852 0.84 CES2 (0.52) CES2CES1
SCHEMBL9119248 0.84 CES2 (0.52) CES2CES1
SCHEMBL10722450 0.84 CES2 (0.52) CES2CES1
SCHEMBL8917791 0.84 CES2 (0.52) CES2CES1
SCHEMBL11540653 0.84 CES2 (0.52) CES2CES1

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-106794681-B Resist the multilayer middle layer that defect is formed 首诺公司 2019-10-22 CN disclosed
CN-106794681-A The multilayer intermediate layer that resistance defect is formed 首诺公司 2017-05-31 CN disclosed
US-20050182047-A1 Treatment of demyelinating disorders EISAI CO., LTD. (JP) 2005-08-18 US disclosed
US-20050130979-A1 2,3-dihydroxy-6-nitro-7-sulfamoyl-benzo(F)quinoxaline (NBQX) or the quinoxalinedione is 9-methyl-amino-6-nitro-hexahydro-benzo(F) quinoxalinedione (PNQX) for treating demyelinating disorders EISAI CO., LTD. (JP) 2005-06-16 US disclosed
US-20040204347-A1 Treatment of demyelinating disorders EISAI CO., LTD. (JP) 2004-10-14 US disclosed
EP-1100504-A2 PHARMACEUTICAL COMPOSITIONS AND THEIR USES FOR TREATMENT OF DEMYELINATING DISORDERS Eisai Co., Ltd. (JP) 2001-05-23 EP disclosed
WO-2000001376-A2 PHARMACEUTICAL COMPOSITIONS AND THEIR USES FOR TREATMENT OF DEMYELINATING DISORDERS EISAI CO., LTD (JP) 2000-01-13 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 (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-20040204347-A1 Treatment of demyelinating disorders GRIK4, GRIK5, PMP22 CES2 3024/4885CES1 2548/4885AKR1B1 2477/4885
US-20050130979-A1 2,3-dihydroxy-6-nitro-7-sulfamoyl-benzo(F)quinoxaline (NBQX) or the quinoxalinedione is 9-methyl-amino-6-nitro-hexahydro-benzo(F) quinoxalinedione (PNQX) for treating demyelinating disorders GRIK4, GRIK5, GRIK3 CES2 3967/4885CES1 3447/4885AKR1B1 1792/4885
US-20050182047-A1 Treatment of demyelinating disorders GRIK4, PMP22, GRIK5 CES2 2987/4885CES1 2596/4885AKR1B1 2382/4885

“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.