SCHEMBL21058151

SCHEMBL21058151

CC(COC(=O)OCC(C)CC(F)(F)F)CC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
NFKB1 P19838 1/20 0.30
PTGS1 P23219 1/20 0.30
APEX1 P27695 1/20 0.30
THPO P40225 1/20 0.30
PMP22 Q01453 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL21058154 0.85 HTT (0.34) HTTMAPT
SCHEMBL21986538 0.83 ALDH1A1 (0.31) ALDH1A1
SCHEMBL21986526 0.82 POLB (0.31) ALDH1A1MEN1LMNAKMT2A
SCHEMBL21986533 0.81 HTT (0.34) HTTALDH1A1
SCHEMBL14991449 0.80 EGFR (0.37) ALDH1A1MEN1LMNACYP3A4CYP2C9
SCHEMBL575219 0.76 HTT (0.37) HTT
SCHEMBL28125185 0.74
SCHEMBL25849717 0.74 TSHR (0.36)
SCHEMBL14462578 0.72 HTT (0.48) HTTALDH1A1MEN1LMNACYP3A4
SCHEMBL21758880 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114097123-B Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same 中央硝子株式会社 2024-09-06 CN disclosed
CN-111788722-B Electrode for secondary battery and method for manufacturing same SK新能源株式会社 2024-07-09 CN disclosed
CN-118104028-A Nonaqueous electrolyte, nonaqueous electrolyte battery and compound 中央硝子株式会社 2024-05-28 CN disclosed
CN-118056307-A Nonaqueous electrolyte, nonaqueous electrolyte battery, compound, and additive for nonaqueous electrolyte 中央硝子株式会社 2024-05-17 CN disclosed
CN-117981134-A Nonaqueous solution, holding method, and nonaqueous battery 中央硝子株式会社 2024-05-03 CN disclosed
CN-117954689-A Electrolyte for nonaqueous electrolyte battery and nonaqueous electrolyte battery using same 中央硝子株式会社 2024-04-30 CN disclosed
CN-111816943-B Pretreatment method of lithium secondary battery SK新能源株式会社 2024-03-12 CN disclosed
CN-111448704-B Electrolyte for nonaqueous electrolyte battery and nonaqueous electrolyte battery using same 中央硝子株式会社 2024-01-12 CN disclosed
CN-117121254-A Nonaqueous electrolyte, nonaqueous electrolyte battery, and method for producing nonaqueous electrolyte battery 中央硝子株式会社 2023-11-24 CN disclosed
CN-116918123-A Nonaqueous electrolyte, nonaqueous electrolyte battery, and compound 中央硝子株式会社 2023-10-20 CN disclosed
CN-116711119-A Nonaqueous electrolyte, nonaqueous electrolyte battery, and compound 中央硝子株式会社 2023-09-05 CN disclosed
CN-116711120-A Nonaqueous electrolyte, nonaqueous electrolyte battery, and compound 中央硝子株式会社 2023-09-05 CN disclosed
CN-111527636-B Electrolyte for nonaqueous electrolyte battery and nonaqueous electrolyte battery using same 中央硝子株式会社 2023-08-15 CN disclosed
CN-111433962-B Electrolyte for nonaqueous electrolyte battery and nonaqueous electrolyte battery using same 中央硝子株式会社 2023-07-14 CN disclosed
EP-4011875-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2022-06-15 EP disclosed
EP-3710438-B1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-10-20 EP disclosed
US-10662172-B2 Triazole N-linked carbamoyl cyclohexyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2020-05-26 US disclosed
US-20190185446-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2019-06-20 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-20190185446-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 HTT 3151/4885ALDH1A1 3478/4885MEN1 3048/4885
US-10662172-B2 Triazole N-linked carbamoyl cyclohexyl acids as LPA antagonists LPAR3, LPAR1, LPAR2 HTT 3151/4885ALDH1A1 3478/4885MEN1 3048/4885

“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.