SCHEMBL24866002

SCHEMBL24866002

CCCCCOc1ccc(C(O)C(C)(C)C)cc1OCCCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.41
ESR1 P03372 2/20 0.40
FDPS P14324 3/20 0.40
CALM1 P0DP23 1/20 0.39
CHUK O15111 1/20 0.39
DAPK3 O43293 1/20 0.39
JAK2 O60674 1/20 0.39
ROCK2 O75116 1/20 0.39
PRKCG P05129 1/20 0.39
CDK1 P06493 1/20 0.39
PIM1 P11309 1/20 0.39
RPS6KB1 P23443 1/20 0.39
CDK2 P24941 1/20 0.39
AKT1 P31749 1/20 0.39
AKT2 P31751 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
BLK P51451 1/20 0.39
RPS6KA3 P51812 1/20 0.39
JAK3 P52333 1/20 0.39
LIMK1 P53667 1/20 0.39

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
SCHEMBL30867116 1.00 SMPD1 (0.41) SMPD1ESR1FDPSCALM1CHUK
SCHEMBL9250450 0.78 SMPD1 (0.43) SMPD1ESR1CALM1CHUKDAPK3
SCHEMBL7354913 0.77 PDE4D (0.41) SMPD1CALM1PPARG
SCHEMBL10896158 0.75 ALDH1A1 (0.44) SMPD1CHUKDAPK3JAK2ROCK2
SCHEMBL17832225 0.75 PPARG (0.55) FDPSTHRATHRBPPARG
SCHEMBL16606362 0.75 CYP3A4 (0.51) FDPSCALM1PPARG
SCHEMBL9254321 0.74 CALM1 (0.47) ESR1FDPSCALM1
SCHEMBL14495326 0.74 CALM1 (0.50) CALM1ALDH1A1HPGD
SCHEMBL18994187 0.74 FDPS (0.50) SMPD1FDPSTHRATHRBPPARG
SCHEMBL11315398 0.74 LMNA (0.53) SMPD1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327444-A1 Method for Purifying Nucleotides, Device for Purifying Nucleotides, Hy-Drophobic Reagent, and Hydrophobic Substrate JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2024-10-03 US disclosed
EP-4368628-A1 METHOD FOR PURIFYING NUCLEOTIDES, DEVICE FOR PURIFYING NUCLEOTIDES, HYDROPHOBIC REAGENT, AND HYDROPHOBIC SUBSTRATE Japan Science and Technology Agency (JP) 2024-05-15 EP disclosed
WO-2023282245-A1 METHOD FOR PURIFYING NUCLEOTIDES, DEVICE FOR PURIFYING NUCLEOTIDES, HYDROPHOBIC REAGENT, AND HYDROPHOBIC SUBSTRATE 国立研究開発法人科学技術振興機構 2023-01-12 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-20240327444-A1 Method for Purifying Nucleotides, Device for Purifying Nucleotides, Hy-Drophobic Reagent, and Hydrophobic Substrate NUDT1, SAMHD1, PNP SMPD1 1013/4885ESR1 4281/4885FDPS 661/4885

“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.