SCHEMBL2945963

SCHEMBL2945963

O=CC1=C(Cl)CCCCCCCC1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
TRIM24 O15164 1/20 0.30
TRIM33 Q9UPN9 1/20 0.30

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
SCHEMBL30895203 1.00 ALDH1A1 (0.30) ALDH1A1TRIM24TRIM33
SCHEMBL15285099 1.00 ALDH1A1 (0.30) ALDH1A1TRIM24TRIM33
SCHEMBL31277248 1.00 ALDH1A1 (0.30) ALDH1A1TRIM24TRIM33
SCHEMBL2945960 1.00 ALDH1A1 (0.30) ALDH1A1TRIM24TRIM33
SCHEMBL16505672 1.00 ALDH1A1 (0.30) ALDH1A1TRIM24TRIM33
SCHEMBL14641322 1.00 ALDH1A1 (0.30) ALDH1A1TRIM24TRIM33
SCHEMBL342405 0.97
SCHEMBL2531922 0.92
SCHEMBL9063242 0.80 TRIM24 (0.39) ALDH1A1TRIM24TRIM33
SCHEMBL9063244 0.80 TRIM24 (0.39) ALDH1A1TRIM24TRIM33

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113460-A1 Organic Compounds GIVAUDAN SA (CH) 2010-05-06 US disclosed
EP-2139354-A2 ORGANIC COMPOUNDS Givaudan SA (CH) 2010-01-06 EP disclosed
WO-2008116339-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2008-10-02 WO 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-20100113460-A1 Organic Compounds CYP2B6, CYP2A6, CYP2A13 ALDH1A1 78/4885TRIM24 4144/4885TRIM33 3532/4885

“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.