SCHEMBL3752952

SCHEMBL3752952

CCCCCC1=C(C)C(C)(C)OC1=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
CDC25B P30305 10/20 0.40
CDC25A P30304 7/20 0.40
CDC25C P30307 6/20 0.40
PTPN1 P18031 4/20 0.37
ACP1 P24666 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
PPARG P37231 1/20 0.35
ALOX5 P09917 6/20 0.34

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
SCHEMBL3937204 0.78 PTGS2 (0.32)
SCHEMBL7142903 0.70 CDC25B (0.37) TDP1ALDH1A1MAPTTHRBCDC25B
SCHEMBL9941221 0.70 CDC25A (0.55) TDP1ALDH1A1MAPTTHRBCDC25B
SCHEMBL82554 0.69 CDC25A (0.69) TDP1ALDH1A1MAPTTHRBCDC25B
SCHEMBL3743037 0.68
SCHEMBL11176370 0.67 CDC25A (0.72) TDP1ALDH1A1MAPTTHRBCDC25B
SCHEMBL17706772 0.67 CDC25A (0.72) TDP1ALDH1A1MAPTTHRBCDC25B
SCHEMBL9631357 0.67 CDC25A (0.72) TDP1ALDH1A1MAPTTHRBCDC25B
SCHEMBL6243699 0.67 CDC25A (0.72) TDP1ALDH1A1MAPTTHRBCDC25B
SCHEMBL6242255 0.67 CDC25A (0.72) TDP1ALDH1A1MAPTTHRBCDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046147-B1 METHOD OF USING ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2013-05-01 EP claimed
US-20090311403-A1 Method of Using Organic Compounds GIVAUDAN SA (CH) 2009-12-17 US claimed
CN-101494999-A Method for using organic compound GIVAUDAN SA (CH) 2009-07-29 CN claimed
EP-2046147-A1 METHOD OF USING ORGANIC COMPOUNDS Givaudan SA (CH) 2009-04-15 EP claimed
WO-2008011742-A1 METHOD OF USING ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2008-01-31 WO claimed
EP-2046147-B1 METHOD OF USING ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2013-05-01 EP 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
US-20100291275-A1 Flavorant and Fragrance Furan-2(5H)-One Compounds GIVAUDAN SA (CH) 2010-11-18 US disclosed
US-20090311403-A1 Method of Using Organic Compounds GIVAUDAN SA (CH) 2009-12-17 US disclosed
CN-101494999-A Method for using organic compound GIVAUDAN SA (CH) 2009-07-29 CN disclosed
EP-2046147-A1 METHOD OF USING ORGANIC COMPOUNDS Givaudan SA (CH) 2009-04-15 EP disclosed
EP-1996569-A1 FLAVORANT AND FRAGRANCE COMPOUNDS Givaudan SA (CH) 2008-12-03 EP disclosed
WO-2008011742-A1 METHOD OF USING ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2008-01-31 WO 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 (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-20090311403-A1 Method of Using Organic Compounds MGLL, GK, LIPC TDP1 3828/4885ALDH1A1 788/4885MAPT 2208/4885
US-20100291275-A1 Flavorant and Fragrance Furan-2(5H)-One Compounds TAS2R5, TAS2R1, TAS1R1 TDP1 3583/4885ALDH1A1 106/4885MAPT 3348/4885

“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.