SCHEMBL7250555

SCHEMBL7250555

CCCOC(=O)OC(C)CCOC(=O)OC(C)C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.36
LMNA P02545 3/20 0.35
CHRNB2 P17787 4/20 0.33
CHRNA4 P43681 4/20 0.33
CHRNB4 P30926 3/20 0.33
CHRNA3 P32297 3/20 0.33
HCAR2 Q8TDS4 1/20 0.32
TSHR P16473 2/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
ALDH1A1 P00352 2/20 0.32
ESR1 P03372 1/20 0.30
CHRM1 P11229 1/20 0.30
SLC6A2 P23975 1/20 0.30
KDR P35968 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL577735 0.88 LMNA (0.42) LMNAHCAR2TSHRALDH1A1ESR1
SCHEMBL5012808 0.86 FAAH (0.39) FAAHLMNACHRNB2CHRNA4CHRNB4
SCHEMBL4921566 0.83 FAAH (0.47) FAAHLMNATSHRCNR1CNR2
SCHEMBL4439901 0.80 HCAR2 (0.36) FAAHLMNAHCAR2TSHRALDH1A1
SCHEMBL2984925 0.80 HCAR2 (0.36) FAAHLMNAHCAR2TSHRALDH1A1
SCHEMBL2982786 0.80 HCAR2 (0.36) FAAHLMNAHCAR2TSHRALDH1A1
SCHEMBL18856280 0.80 FAAH (0.57) FAAHLMNACNR1CNR2ALDH1A1
SCHEMBL12120695 0.78 LMNA (0.41) FAAHLMNAHCAR2TSHRCNR1
SCHEMBL12712171 0.78 CA1 (0.43) LMNACHRNB2CHRNA4CHRNB4CHRNA3
Tert-Butyl Hydroperoxide SCHEMBL27806184 0.78 LMNA (0.35) LMNAHCAR2TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030069204-A1 Strain of streptomyces SANKYO COMPANY LIMITED (JP) 2003-04-10 US disclosed
EP-0497978-A1 CEPHALOSPORIN COMPOUNDS AND PRODUCTION THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 1992-08-12 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-20030069204-A1 Strain of streptomyces O60361, CYP8B1, MRPS34 FAAH 357/4885LMNA 3952/4885CHRNB2 4645/4885

“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.