SCHEMBL19520522

SCHEMBL19520522

CC(=O)C(C)C(=O)CCc1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
F13A1 P00488 1/20 0.47
ESR1 P03372 3/20 0.46
ESR2 Q92731 2/20 0.46
CYP19A1 P11511 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
SLC16A3 O15427 1/20 0.45
LMNA P02545 1/20 0.45
TTR P02766 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
GAA P10253 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL19520263 0.84 ALDH1A1 (0.60) KDM4EMEN1KMT2AALDH1A1HDAC2
SCHEMBL106904 0.83 ESR1 (0.50) KDM4EF13A1ESR1ESR2CYP19A1
SCHEMBL691976 0.81 TRPV1 (0.49) KDM4EF13A1ESR1ESR2CYP19A1
SCHEMBL19520243 0.81 ALDH1A1 (0.59) KDM4EALDH1A1LMNATP53CYP1A2
SCHEMBL104964 0.79 ESR1 (0.49) KDM4EF13A1ESR1ESR2CYP19A1
Raspberryketone SCHEMBL43308 0.77 ALDH1A1 (0.65) KDM4EF13A1ESR1ESR2CYP19A1
SCHEMBL11512222 0.76 KDM4E (0.45) KDM4EF13A1ESR1ESR2CYP19A1
SCHEMBL11509273 0.75 TDP1 (0.49) KDM4EF13A1ESR1ESR2CYP19A1
SCHEMBL21099895 0.74 ALDH1A1 (0.45) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL7262945 0.73 CALM1 (0.47) KDM4EF13A1ESR1ESR2ALDH1A1

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
EP-3448843-B1 ARYL BETA DIKETONES AND THEIR USE A ODORANTS GIVAUDAN SA (CH) 2021-02-24 EP claimed
US-10577298-B2 Aryl beta diketones and their use as odorants GIVAUDAN S.A. (CH) 2020-03-03 US claimed
US-20190127305-A1 ARYL BETA DIKETONES AND THEIR USE AS ODORANTS GIVAUDAN SA (CH) 2019-05-02 US claimed
WO-2017186846-A1 ARYL BETA DIKETONES AND THEIR USE A ODORANTS GIVAUDAN SA (CH) 2017-11-02 WO claimed
EP-3448843-B1 ARYL BETA DIKETONES AND THEIR USE A ODORANTS GIVAUDAN SA (CH) 2021-02-24 EP disclosed
US-10577298-B2 Aryl beta diketones and their use as odorants GIVAUDAN S.A. (CH) 2020-03-03 US disclosed
US-20190127305-A1 ARYL BETA DIKETONES AND THEIR USE AS ODORANTS GIVAUDAN SA (CH) 2019-05-02 US disclosed
WO-2017186846-A1 ARYL BETA DIKETONES AND THEIR USE A ODORANTS GIVAUDAN SA (CH) 2017-11-02 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-10577298-B2 Aryl beta diketones and their use as odorants CBR3, CBR1, CHRM3 KDM4E 767/4885F13A1 740/4885ESR1 900/4885
US-20190127305-A1 ARYL BETA DIKETONES AND THEIR USE AS ODORANTS CBR3, CBR1, CHRM3 KDM4E 767/4885F13A1 740/4885ESR1 900/4885

“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.