SCHEMBL4870836

SCHEMBL4870836

CCCCC(CC)(C(=O)O)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
NAAA Q02083 3/20 0.36
EPHX1 P07099 9/20 0.35
EPHX2 P34913 2/20 0.34

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
SCHEMBL8736628 0.92 NAAA (0.39) NAAAEPHX1EPHX2
SCHEMBL8735246 0.92 NAAA (0.39) NAAAEPHX1EPHX2
SCHEMBL28514798 0.92 NAAA (0.39) NAAAEPHX1EPHX2
SCHEMBL29169850 0.89 CHRM2 (0.35) CYP1A2NAAAEPHX1
SCHEMBL2553560 0.86 NAAA (0.42) NAAAEPHX1EPHX2
SCHEMBL28513740 0.86 NAAA (0.40) NAAAEPHX1EPHX2
SCHEMBL16398522 0.85 AKR1B1 (0.41) NAAA
SCHEMBL25429424 0.85 KEAP1 (0.36) NAAAEPHX1
SCHEMBL19690668 0.85 NAAA (0.35) CYP1A2NAAAEPHX1EPHX2
SCHEMBL12393616 0.83 KEAP1 (0.37) CYP1A2NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332462-B2 Malodor counteractant compounds GIVAUDAN SA (CH) 2008-02-19 US disclosed
US-7288507-B2 Malodor counteractant compounds GIVAUDAN SA (CH) 2007-10-30 US disclosed
US-20070116655-A1 MALODOR COUNTERACTANT COMPOUNDS GIVAUDAN SA (CH) 2007-05-24 US disclosed
US-20060034789-A1 Malodor counteractant compounds GIVAUDAN SA (CH) 2006-02-16 US disclosed
US-6610648-B2 Alkyl 3-phenylprop-2-enoic acid ester derivatives GIVAUDAN SA (CH) 2003-08-26 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 (2 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-20060034789-A1 Malodor counteractant compounds MAL2, OR51E2, OPRM1 CYP1A2 576/4885NAAA 3323/4885EPHX1 858/4885
US-20070116655-A1 MALODOR COUNTERACTANT COMPOUNDS MAL2, OR51E2, OPRM1 CYP1A2 666/4885NAAA 3403/4885EPHX1 910/4885

“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.