SCHEMBL3743046

SCHEMBL3743046

CCCCC1=CC(C)(C)OC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
PTPN1 P18031 5/20 0.34
ACP1 P24666 3/20 0.34
CDC25B P30305 3/20 0.34
ALDH1A1 P00352 4/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
HPGD P15428 2/20 0.33
CYP2C19 P33261 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.33
CRHBP P24387 2/20 0.33
CRHR2 Q13324 2/20 0.33
PPARG P37231 1/20 0.33
MEN1 O00255 1/20 0.33
CTRC Q99895 1/20 0.33
PARP1 P09874 1/20 0.32

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
SCHEMBL3239526 0.93 ACHE (0.43) TDP1L3MBTL1ACHEBACE1PTPN1
SCHEMBL23934182 0.76 CYP2C9 (0.39) TDP1L3MBTL1PTPN1CYP1A2CYP2C19
SCHEMBL11220616 0.75 ACHE (0.45) ACHEBACE1PTPN1ACP1CDC25B
SCHEMBL3242954 0.64 ALDH1A1 (0.35) TDP1L3MBTL1PTPN1ACP1CDC25B
SCHEMBL234448 0.64 ACHE (0.40) ACHEBACE1PTPN1CDC25BCTRC
SCHEMBL4278987 0.63 CYP19A1 (0.37) ACHEBACE1ALDH1A1
SCHEMBL27516481 0.63 ACHE (0.42) ACHEBACE1PTPN1ALDH1A1CYP3A4
SCHEMBL5588331 0.63 ACHE (0.42) ACHEBACE1PTPN1ALDH1A1CYP3A4
SCHEMBL6361888 0.63 STAT3 (0.58) TDP1ACHEBACE1PTPN1ALDH1A1
SCHEMBL364755 0.63 GPR84 (0.37) ACHEBACE1PTPN1KMT2ACTRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100291275-A1 Flavorant and Fragrance Furan-2(5H)-One Compounds GIVAUDAN SA (CH) 2010-11-18 US 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-20100291275-A1 Flavorant and Fragrance Furan-2(5H)-One Compounds TAS2R5, TAS2R1, TAS1R1 TDP1 3583/4885L3MBTL1 2316/4885ACHE 1997/4885

“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.