SCHEMBL2774834

SCHEMBL2774834

C/C=C/C(=O)C1CCC=C(C)C1C

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL2774836 1.00 ALDH1A1 (0.31) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL2774416 0.73 ALDH1A1 (0.31) ALDH1A1
SCHEMBL2774419 0.73 ALDH1A1 (0.31) ALDH1A1
SCHEMBL29096101 0.71 GSTP1 (0.35) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL2772752 0.70
SCHEMBL2772751 0.70
SCHEMBL18952446 0.69 MAPT (0.35)
SCHEMBL18529410 0.67 ALDH1A1 (0.49) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL3639610 0.67 ALDH1A1 (0.39) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL18529411 0.67 ALDH1A1 (0.49) ALDH1A1CYP3A4ALOX15TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7812195-B2 Cyclohexenyl butenones and fragrance compositions comprising them GIVAUDAN SA (CH) 2010-10-12 US claimed
US-20100016197-A1 Cyclohexenyl Butenones and Fragrance Compositions Comprising Them GIVAUDAN SA (CH) 2010-01-21 US claimed
EP-2094359-A1 CYLOHEXENYL BUTENONES AND FRAGRANCE COMPOSITIONS COMPRISING THEM Givaudan SA (CH) 2009-09-02 EP claimed
WO-2008071026-A1 CYLOHEXENYL BUTENONES AND FRAGRANCE COMPOSITIONS COMPRISING THEM GIVAUDAN SA (CH) 2008-06-19 WO claimed
US-7812195-B2 Cyclohexenyl butenones and fragrance compositions comprising them GIVAUDAN SA (CH) 2010-10-12 US disclosed
US-20100016197-A1 Cyclohexenyl Butenones and Fragrance Compositions Comprising Them GIVAUDAN SA (CH) 2010-01-21 US disclosed
EP-2094359-A1 CYLOHEXENYL BUTENONES AND FRAGRANCE COMPOSITIONS COMPRISING THEM Givaudan SA (CH) 2009-09-02 EP disclosed
WO-2008071026-A1 CYLOHEXENYL BUTENONES AND FRAGRANCE COMPOSITIONS COMPRISING THEM GIVAUDAN SA (CH) 2008-06-19 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-20100016197-A1 Cyclohexenyl Butenones and Fragrance Compositions Comprising Them CBR3, C5, CYB5R3 ALDH1A1 716/4885CYP3A4 78/4885ALOX15 202/4885

“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.