SCHEMBL1434835

SCHEMBL1434835

CCc1cc(C(C)C(=O)OCCOCCOCCOC(=O)C(C)c2cc(CC)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
HSPA5 P11021 2/20 0.39
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35
SERPINE1 P05121 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HMGCR P04035 2/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
GLRA3 O75311 1/20 0.33
GLRB P48167 1/20 0.33

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
SCHEMBL6056065 0.86 CA2 (0.42) CYP1A2CYP2D6LMNARECQLSMN1; SMN2
SCHEMBL379324 0.85 CYP1A2 (0.41) CYP1A2CYP2D6SERPINE1CYP2C9CYP2C19
SCHEMBL29405981 0.85 CYP1A2 (0.41) CYP1A2CYP2D6SERPINE1CYP2C9CYP2C19
SCHEMBL29349883 0.85 CYP1A2 (0.41) CYP1A2CYP2D6SERPINE1CYP2C9CYP2C19
Triethylene Glycol SCHEMBL1434840 0.84 CYP1A2 (0.41) CYP1A2CYP2D6HSPA5LMNARECQL
SCHEMBL4773329 0.82 LMNA (0.42) CYP1A2CYP2D6LMNARECQLSMN1; SMN2
SCHEMBL19950694 0.81 CYP1A2 (0.45) CYP1A2CYP2D6HSPA5CYP2C9CYP2C19
SCHEMBL28115084 0.80 ESR1 (0.44) LMNARECQLSMN1; SMN2GAAKMT2A
SCHEMBL887986 0.79 GPR55 (0.40) CYP1A2CYP2D6LMNARECQLSMN1; SMN2
SCHEMBL30559748 0.79 HMGCR (0.44) CYP1A2CYP2D6LMNARECQLSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411084-B1 ANTIBACTERIAL COMPOSITION FOR MEDICAL TOOL ADEKA CORP (JP) 2011-03-30 EP disclosed
US-7279509-B2 Antibacterial composition for medical tool ADEKA CORPORATION (JP) 2007-10-09 US disclosed
US-20040166163-A1 Antibacterial composition for medical tool ADEKA CORPORATION (JP) 2004-08-26 US disclosed
EP-1411084-A1 ANTIBACTERIAL COMPOSITION FOR MEDICAL TOOL ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 2004-04-21 EP 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-20040166163-A1 Antibacterial composition for medical tool NLRP3, NLRP1, MRPL37 CYP1A2 3570/4885CYP2D6 3109/4885HSPA5 2137/4885

“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.