SCHEMBL2897773

SCHEMBL2897773

C/C1=C/CCC(=O)C(C)CC/C=C(/C)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
KMT2A Q03164 3/20 0.42
TAS2R46 P59540 4/20 0.41
MEN1 O00255 2/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TERT O14746 1/20 0.36
PKM P14618 1/20 0.36
PTPN1 P18031 2/20 0.36
CNR2 P34972 1/20 0.34
PPARA Q07869 1/20 0.34
PTAFR P25105 1/20 0.32
CYP3A4 P08684 2/20 0.31
GLI1 P08151 1/20 0.31
GLI2 P10070 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
SCHEMBL2897774 1.00 CA1 (0.43) CA1CA2CA4KMT2ATAS2R46
SCHEMBL2902334 0.94 TAS2R46 (0.43) CA1CA2CA4KMT2ATAS2R46
SCHEMBL2902335 0.94 TAS2R46 (0.43) CA1CA2CA4KMT2ATAS2R46
SCHEMBL2903613 0.88 TAS2R46 (0.47) CA1CA2CA4KMT2ATAS2R46
SCHEMBL2903609 0.88 TAS2R46 (0.47) CA1CA2CA4KMT2ATAS2R46
SCHEMBL2905593 0.84 CA1 (0.43) CA1CA2CA4KMT2ATAS2R46
SCHEMBL2905596 0.84 CA1 (0.43) CA1CA2CA4KMT2ATAS2R46
SCHEMBL14335026 0.72 CA1 (0.48) CA1CA2CA4KMT2ACNR2
SCHEMBL14335328 0.72 CA1 (0.48) CA1CA2CA4KMT2ACNR2
SCHEMBL14335027 0.72 CA1 (0.48) CA1CA2CA4KMT2ACNR2

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
EP-1838653-B1 NOVEL TRIMETHYLCYCLODODECATRIENE DERIVATIVES, USE THEREOF, AND PERFUMED PRODUCTS CONTAINING THE SAME MANE FILS V (FR) 2010-08-04 EP disclosed
EP-1838653-B1 NOVEL TRIMETHYLCYCLODODECATRIENE DERIVATIVES, USE THEREOF, AND PERFUMED PRODUCTS CONTAINING THE SAME MANE FILS V (FR) 2010-08-04 EP disclosed
US-7737107-B2 Trimethylcyclododecatriene derivatives, use thereof and perfumed products containing the same Fils, V. Mane (FR) 2010-06-15 US disclosed
US-7737107-B2 Trimethylcyclododecatriene derivatives, use thereof and perfumed products containing the same Fils, V. Mane (FR) 2010-06-15 US disclosed
US-7737107-B2 Trimethylcyclododecatriene derivatives, use thereof and perfumed products containing the same Fils, V. Mane (FR) 2010-06-15 US disclosed
US-20080139446-A1 Novel Trimethylcyclodoecatriene Derivatives, Use Thereof And Perfumed Products Containing The Same V. MANE FILS (FR) 2008-06-12 US disclosed
US-20080139446-A1 Novel Trimethylcyclodoecatriene Derivatives, Use Thereof And Perfumed Products Containing The Same V. MANE FILS (FR) 2008-06-12 US disclosed
US-20080139446-A1 Novel Trimethylcyclodoecatriene Derivatives, Use Thereof And Perfumed Products Containing The Same V. MANE FILS (FR) 2008-06-12 US disclosed
EP-1838653-A1 NOVEL TRIMETHYLCYCLODODECATRIENE DERIVATIVES, USE THEREOF, AND PERFUMED PRODUCTS CONTAINING THE SAME V. Mane Fils (FR) 2007-10-03 EP disclosed
WO-2006077306-A1 NOVEL TRIMETHYLCYCLODODECATRIENE DERIVATIVES, USE THEREOF, AND PERFUMED PRODUCTS CONTAINING THE SAME V. MANE FILS (FR) 2006-07-27 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-20080139446-A1 Novel Trimethylcyclodoecatriene Derivatives, Use Thereof And Perfumed Products Containing The Same CBR3, C5, OXER1 CA1 3517/4885CA2 3714/4885CA4 3709/4885

“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.