SCHEMBL7052574

SCHEMBL7052574

CC1COC(=O)CCCCCCCCCCCCCC(=O)O1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.50
CA9 Q16790 2/20 0.50
CYP2D6 P10635 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.34
CYP2C19 P33261 2/20 0.34
CASP1 P29466 1/20 0.34
CYP3A4 P08684 1/20 0.34
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
SLC6A3 Q01959 8/20 0.31
SLC6A4 P31645 6/20 0.31
SLC6A2 P23975 5/20 0.31

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
SCHEMBL7053363 1.00 CA1 (0.50) CA1CA9CYP2D6SMN1; SMN2ALDH1A1
SCHEMBL7054979 1.00 CA1 (0.50) CA1CA9CYP2D6SMN1; SMN2ALDH1A1
SCHEMBL7056917 1.00 CA1 (0.50) CA1CA9CYP2D6SMN1; SMN2ALDH1A1
SCHEMBL31459238 1.00 CA1 (0.50) CA1CA9CYP2D6SMN1; SMN2ALDH1A1
SCHEMBL18864298 1.00 CA1 (0.50) CA1CA9CYP2D6SMN1; SMN2ALDH1A1
SCHEMBL7056509 1.00 CA1 (0.50) CA1CA9CYP2D6SMN1; SMN2ALDH1A1
SCHEMBL7057493 1.00 CA1 (0.50) CA1CA9CYP2D6SMN1; SMN2ALDH1A1
SCHEMBL7059510 1.00 CA1 (0.50) CA1CA9CYP2D6SMN1; SMN2ALDH1A1
SCHEMBL1046752 1.00 CA1 (0.50) CA1CA9CYP2D6SMN1; SMN2ALDH1A1
SCHEMBL7053748 1.00 CA1 (0.50) CA1CA9CYP2D6SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6639089-B2 Therapy, side effect reduction SODA AROMATIC CO., LTD. 2003-10-28 US claimed
US-20030055105-A1 Anticancer agents, perfumes or foods and drinks containing omega-hydroxyfatty acids SODA AROMATIC CO., LTD. A JAPANESE CORPORATION (JP) 2003-03-20 US claimed
EP-1249236-A1 ANTICANCER AGENTS, PERFUMES OR FOODS AND DRINKS CONTAINING $g(v)-HYDROXYFATTY ACIDS SODA AROMATIC COMPANY, LIMITED (JP) 2002-10-16 EP claimed
US-6639089-B2 Therapy, side effect reduction SODA AROMATIC CO., LTD. 2003-10-28 US disclosed
US-20030055105-A1 Anticancer agents, perfumes or foods and drinks containing omega-hydroxyfatty acids SODA AROMATIC CO., LTD. A JAPANESE CORPORATION (JP) 2003-03-20 US disclosed
EP-1249236-A1 ANTICANCER AGENTS, PERFUMES OR FOODS AND DRINKS CONTAINING $g(v)-HYDROXYFATTY ACIDS SODA AROMATIC COMPANY, LIMITED (JP) 2002-10-16 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-20030055105-A1 Anticancer agents, perfumes or foods and drinks containing omega-hydroxyfatty acids ALOX5, ELOVL5, ELOVL3 CA1 1636/4885CA9 1111/4885CYP2D6 671/4885

“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.