SCHEMBL27016396

SCHEMBL27016396

CC(=O)OCCCCCCCCCCCCOC=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
LMNA P02545 2/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
TSHR P16473 4/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
CYP3A4 P08684 1/20 0.40
PGR P06401 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
HTR1A P08908 1/20 0.40
CHRNB2 P17787 1/20 0.40
TBXA2R P21731 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3387356 1.00 ALDH1A1 (0.52) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL3391578 1.00 ALDH1A1 (0.52) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL2161923 0.98 ALDH1A1 (0.54) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL2160738 0.93 ALDH1A1 (0.54) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
Hexyl Acetate SCHEMBL4641333 0.92 ALDH1A1 (0.61) ALDH1A1LMNATSHRNAAAHCAR2
Hexyl Formate SCHEMBL8360984 0.91 ALDH1A1 (0.64) ALDH1A1LMNATSHRNAAAHCAR2
SCHEMBL27016771 0.89 ALDH1A1 (0.42) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
Acetic Acid Butyl Ester SCHEMBL11780164 0.88 ALDH1A1 (0.72) ALDH1A1LMNATSHRCHRM5CHRM1
SCHEMBL1254465 0.84
SCHEMBL4441760 0.83 ALDH1A1 (0.70) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018101-A1 MULTIVALENT TERPENE-BASED BOLAAMPHIPHILES FOR GENE DELIVERY UNIVERSITY OF SAN DIEGO 2024-01-18 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 (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-20240018101-A1 MULTIVALENT TERPENE-BASED BOLAAMPHIPHILES FOR GENE DELIVERY BOLA2; BOLA2B, GHITM, GGPS1 ALDH1A1 2321/4885LMNA 3565/4885APOBEC3A 2990/4885

“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.