SCHEMBL2946473

SCHEMBL2946473

CCCCCC(CC1CCOC1)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CA2 P00918 2/20 0.36
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
PKM P14618 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.33
CA1 P00915 1/20 0.33

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
SCHEMBL3143573 0.82 ALDH1A1 (0.49) KMT2AALDH1A1CA2GRIK1GRIK2
SCHEMBL4033466 0.81 ALDH1A1 (0.51) KMT2AALDH1A1CA2GRIK1GRIK2
SCHEMBL3904244 0.78 ALDH1A1 (0.59) KMT2AALDH1A1CA2GRIK1GRIK2
SCHEMBL19363820 0.78 LMNA (0.35) ALDH1A1CYP1A2
SCHEMBL7030297 0.77 ALDH1A1 (0.61) KMT2AALDH1A1CA2CYP1A2
SCHEMBL18935624 0.76 LMNA (0.38) ALDH1A1CYP1A2
SCHEMBL2939732 0.73 USP2 (0.41) KMT2AALDH1A1MEN1
SCHEMBL7036481 0.71 CA2 (0.56) CA2GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL22857750 0.70 CHRM2 (0.43) CA2GRIK1GRIK2CA1
SCHEMBL10316802 0.70 ALDH1A1 (0.44) KMT2AALDH1A1CA2GRIK1GRIK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100111888-A1 Organic Compounds and Compositions Having the Ability to Modulate Fragrance Compositions GIVAUDAN SA (CH) 2010-05-06 US claimed
EP-2152658-A2 ORGANIC COMPOUNDS AND COMPOSITIONS HAVING THE ABILITY TO MODULATE FRAGRANCE COMPOSITIONS Givaudan SA (CH) 2010-02-17 EP claimed
WO-2008116338-A2 ORGANIC COMPOUNDS AND COMPOSITIONS HAVING THE ABILITY TO MODULATE FRAGRANCE COMPOSITIONS GIVAUDAN SA (CH) 2008-10-02 WO claimed
US-20100113460-A1 Organic Compounds GIVAUDAN SA (CH) 2010-05-06 US disclosed
US-20100111888-A1 Organic Compounds and Compositions Having the Ability to Modulate Fragrance Compositions GIVAUDAN SA (CH) 2010-05-06 US disclosed
EP-2152658-A2 ORGANIC COMPOUNDS AND COMPOSITIONS HAVING THE ABILITY TO MODULATE FRAGRANCE COMPOSITIONS Givaudan SA (CH) 2010-02-17 EP 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
WO-2008116338-A2 ORGANIC COMPOUNDS AND COMPOSITIONS HAVING THE ABILITY TO MODULATE FRAGRANCE COMPOSITIONS 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 (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-20100113460-A1 Organic Compounds CYP2B6, CYP2A6, CYP2A13 KMT2A 2499/4885ALDH1A1 78/4885CA2 1421/4885
US-20100111888-A1 Organic Compounds and Compositions Having the Ability to Modulate Fragrance Compositions CYP2A13, CYP1A1, CYP1B1 KMT2A 2707/4885ALDH1A1 139/4885CA2 2519/4885

“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.