SCHEMBL3242954

SCHEMBL3242954

CCCCC1(C)C=C(C)C(=O)O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
HPGD P15428 2/20 0.35
CYP2C19 P33261 2/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
PTPN1 P18031 4/20 0.33
ACP1 P24666 3/20 0.33
CDC25B P30305 3/20 0.33
MAPT P10636 1/20 0.33
ALOX5 P09917 7/20 0.33
ELANE P08246 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 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
SCHEMBL3239425 0.93 MMP2 (0.40) KMT2AMEN1PTPN1ACP1CDC25B
SCHEMBL3246348 0.93 MMP2 (0.40) KMT2AMEN1PTPN1ACP1CDC25B
SCHEMBL3239913 0.93 MMP2 (0.40) KMT2AMEN1PTPN1ACP1CDC25B
SCHEMBL4656839 0.83 MMP9 (0.34) KMT2AMEN1PTPN1ACP1CDC25B
SCHEMBL3750812 0.80
SCHEMBL3237199 0.76 AKT1 (0.32) MMP9
SCHEMBL17307320 0.68 SIRT2 (0.38) KMT2AMEN1PTPN1ACP1CDC25B
SCHEMBL3239326 0.66 LMNA (0.30)
SCHEMBL3743046 0.64 TDP1 (0.35) ALDH1A1KMT2ACYP1A2CYP3A4HPGD
SCHEMBL4652250 0.63

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-20100291275-A1 Flavorant and Fragrance Furan-2(5H)-One Compounds GIVAUDAN SA (CH) 2010-11-18 US disclosed
US-20100291275-A1 Flavorant and Fragrance Furan-2(5H)-One Compounds GIVAUDAN SA (CH) 2010-11-18 US disclosed
US-20100291275-A1 Flavorant and Fragrance Furan-2(5H)-One Compounds GIVAUDAN SA (CH) 2010-11-18 US disclosed
EP-1996569-B1 FLAVORANT AND FRAGRANCE COMPOUNDS GIVAUDAN SA (CH) 2010-07-28 EP disclosed
EP-1996569-B1 FLAVORANT AND FRAGRANCE COMPOUNDS GIVAUDAN SA (CH) 2010-07-28 EP disclosed
EP-1996569-A1 FLAVORANT AND FRAGRANCE COMPOUNDS Givaudan SA (CH) 2008-12-03 EP disclosed
WO-2007107023-A1 FLAVORANT AND FRAGRANCE COMPOUNDS GIVAUDAN SA (CH) 2007-09-27 WO disclosed
WO-2007107023-A1 FLAVORANT AND FRAGRANCE COMPOUNDS GIVAUDAN SA (CH) 2007-09-27 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-20100291275-A1 Flavorant and Fragrance Furan-2(5H)-One Compounds TAS2R5, TAS2R1, TAS1R1 ALDH1A1 106/4885KMT2A 2847/4885CYP1A2 289/4885

“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.