SCHEMBL4450962

SCHEMBL4450962

CCCCCCCC1[CH]CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.41
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 3/20 0.35
PSMB11 A5LHX3 1/20 0.35
PSMA7 O14818 1/20 0.35
PSMB1 P20618 1/20 0.35
PSMA1 P25786 1/20 0.35
PSMA2 P25787 1/20 0.35
PSMA3 P25788 1/20 0.35
PSMA4 P25789 1/20 0.35
PSMB8 P28062 1/20 0.35
PSMB9 P28065 1/20 0.35
PSMA5 P28066 1/20 0.35
PSMB4 P28070 1/20 0.35
PSMB6 P28072 1/20 0.35
PSMB5 P28074 1/20 0.35
PSMB10 P40306 1/20 0.35
PSMB3 P49720 1/20 0.35
PSMB2 P49721 1/20 0.35
PSMA6 P60900 1/20 0.35

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
SCHEMBL9214351 1.00 EPHX1 (0.41) EPHX1ALDH1A1CYP1A2PSMB11PSMA7
SCHEMBL27513432 1.00 EPHX1 (0.41) EPHX1ALDH1A1CYP1A2PSMB11PSMA7
SCHEMBL9474195 1.00 EPHX1 (0.41) EPHX1ALDH1A1CYP1A2PSMB11PSMA7
SCHEMBL6561460 0.98 EPHX1 (0.38) EPHX1ALDH1A1CYP1A2PSMB11PSMA7
SCHEMBL9980541 0.94 EPHX1 (0.39) EPHX1ALDH1A1CYP1A2PSMB11PSMA7
SCHEMBL7201664 0.94 EPHX1 (0.39) EPHX1ALDH1A1CYP1A2PSMB11PSMA7
SCHEMBL5688099 0.94 EPHX1 (0.39) EPHX1ALDH1A1CYP1A2PSMB11PSMA7
SCHEMBL9948824 0.94 EPHX1 (0.39) EPHX1ALDH1A1CYP1A2PSMB11PSMA7
SCHEMBL9979248 0.94 EPHX1 (0.39) EPHX1ALDH1A1CYP1A2PSMB11PSMA7
SCHEMBL9950636 0.94 EPHX1 (0.39) EPHX1ALDH1A1CYP1A2PSMB11PSMA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572938-B2 Precursors for ketones and aldehydes GIVAUDAN SA (CH) 2009-08-11 US claimed
US-20040171516-A1 Precursors for ketones and aldehydes GIVAUDAN SA (CH) 2004-09-02 US claimed
EP-1390337-A1 PRECURSORS FOR KETONES AND ALDEHYDES Givaudan SA (CH) 2004-02-25 EP claimed
WO-2002096850-A1 PRECURSORS FOR KETONES AND ALDEHYDES GIVAUDAN SA (CH) 2002-12-05 WO claimed
EP-1262473-A1 Precursors for fragrant ketones and fragrant aldehydes Givaudan SA (CH) 2002-12-04 EP claimed
US-7572938-B2 Precursors for ketones and aldehydes GIVAUDAN SA (CH) 2009-08-11 US disclosed
US-20040171516-A1 Precursors for ketones and aldehydes GIVAUDAN SA (CH) 2004-09-02 US disclosed
EP-1390337-A1 PRECURSORS FOR KETONES AND ALDEHYDES Givaudan SA (CH) 2004-02-25 EP disclosed
WO-2002096850-A1 PRECURSORS FOR KETONES AND ALDEHYDES GIVAUDAN SA (CH) 2002-12-05 WO disclosed
EP-1262473-A1 Precursors for fragrant ketones and fragrant aldehydes Givaudan SA (CH) 2002-12-04 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-20040171516-A1 Precursors for ketones and aldehydes PDK3, PDK4, AKR1C4 EPHX1 254/4885ALDH1A1 13/4885CYP1A2 149/4885

“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.