SCHEMBL4108641

SCHEMBL4108641

CCOCCCOC(=O)C1CCCCC1C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.42
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
NAAA Q02083 1/20 0.35
THRB P10828 1/20 0.35
POLB P06746 3/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.32

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
SCHEMBL3290940 0.92 ALDH1A1 (0.44) EPHX1TP53CYP3A4TSHRALDH1A1
SCHEMBL31505787 0.90 TP53 (0.44) TP53CYP3A4TSHRALDH1A1NAAA
SCHEMBL6409819 0.84 EPHX1 (0.52) EPHX1TP53CYP3A4ALDH1A1POLB
SCHEMBL18729773 0.84 TSHR (0.45) EPHX1TSHRNAAA
SCHEMBL22534528 0.84 TSHR (0.45) EPHX1TSHRNAAA
SCHEMBL9910594 0.84 TSHR (0.45) EPHX1TSHRNAAA
SCHEMBL3412445 0.83 EPHX1 (0.47) EPHX1TP53CYP3A4ALDH1A1NAAA
SCHEMBL3289323 0.83 EPHX1 (0.47) EPHX1TP53CYP3A4ALDH1A1NAAA
SCHEMBL12894434 0.83 EPHX1 (0.50) EPHX1TP53CYP3A4ALDH1A1THRB
SCHEMBL13104104 0.83 EPHX1 (0.50) EPHX1TP53CYP3A4ALDH1A1THRB

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-20090131301-A1 METHYL CYCLOHEXANE CARBOXYLATES AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-05-21 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-20090131301-A1 METHYL CYCLOHEXANE CARBOXYLATES AND THEIR USE IN PERFUME COMPOSITIONS C5, OR51E2, OXER1 EPHX1 565/4885TP53 2045/4885CYP3A4 288/4885

“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.