SCHEMBL891219

SCHEMBL891219

CCCCC(=O)Oc1ccc(C=O)cc1OC

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 3/20 0.66
ALDH1A1 P00352 6/20 0.57
TSHR P16473 1/20 0.57
FDPS P14324 1/20 0.54
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
AKR1C3 P42330 1/20 0.50
FGFR1 P11362 1/20 0.50
VCP P55072 1/20 0.50
NPC1 O15118 1/20 0.49
CYP2C9 P11712 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL891408 0.96 TOP2A (0.72) TOP2AALDH1A1TSHRFDPSKDM4E
SCHEMBL3277679 0.95 TOP2A (0.74) TOP2AALDH1A1TSHRFDPSKDM4E
SCHEMBL891191 0.95 TOP2A (0.74) TOP2AALDH1A1TSHRFDPSKDM4E
SCHEMBL28164027 0.95 TOP2A (0.74) TOP2AALDH1A1TSHRFDPSKDM4E
SCHEMBL891291 0.95 TOP2A (0.74) TOP2AALDH1A1TSHRFDPSKDM4E
SCHEMBL891656 0.95 TOP2A (0.74) TOP2AALDH1A1TSHRFDPSKDM4E
SCHEMBL31756896 0.93 TOP2A (0.63) TOP2AALDH1A1TSHRFDPSKDM4E
SCHEMBL31096971 0.93 ALDH1A1 (0.62) TOP2AALDH1A1TSHRFDPSKDM4E
SCHEMBL891609 0.92 ALDH1A1 (0.60) TOP2AALDH1A1TSHRFDPSKDM4E
SCHEMBL27603749 0.92 TOP2A (0.65) TOP2AALDH1A1TSHRFDPSKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621462-A1 ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR The Procter and Gamble Company (US) 2013-08-07 EP claimed
CN-103140209-A Oral care compositions with improved flavor PROCTER & GAMBLE 2013-06-05 CN claimed
WO-2012044728-A1 ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR THE PROCTER & GAMBLE COMPANY (US) 2012-04-05 WO claimed
US-20120082628-A1 Oral Care Compositions With Improved Flavor THE PROCTER & GAMBLE COMPANY 2012-04-05 US claimed
EP-2621462-B1 ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR PROCTER & GAMBLE (US) 2020-02-12 EP disclosed
US-9937115-B2 Oral care compositions with improved flavor THE PROCTER & GAMBLE COMPANY (US) 2018-04-10 US disclosed
CN-103140209-B Oral care composition with improved local flavor 宝洁公司 2017-10-13 CN disclosed
CN-105935082-A Food composition in powder form DMK德意志牛奶股份有限公司 2016-09-14 CN disclosed
EP-2621462-A1 ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR The Procter and Gamble Company (US) 2013-08-07 EP disclosed
US-20130177688-A1 Method of Flavoring GIVAUDAN S.A. (CH) 2013-07-11 US disclosed
US-20130177688-A1 Method of Flavoring GIVAUDAN S.A. (CH) 2013-07-11 US disclosed
US-20130177688-A1 Method of Flavoring GIVAUDAN S.A. (CH) 2013-07-11 US disclosed
CN-103140209-A Oral care compositions with improved flavor PROCTER & GAMBLE 2013-06-05 CN disclosed
WO-2012044728-A1 ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR THE PROCTER & GAMBLE COMPANY (US) 2012-04-05 WO disclosed
US-20120082628-A1 Oral Care Compositions With Improved Flavor THE PROCTER & GAMBLE COMPANY 2012-04-05 US disclosed
WO-2009092176-A2 METHOD OF FLAVORING GIVAUDAN SA (CH) 2009-07-30 WO disclosed
US-20090186138-A1 Method of Flavoring GIVAUDAN SA (CH) 2009-07-23 US disclosed
US-20090186138-A1 Method of Flavoring GIVAUDAN SA (CH) 2009-07-23 US disclosed
US-20090186138-A1 Method of Flavoring GIVAUDAN SA (CH) 2009-07-23 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 (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-20090186138-A1 Method of Flavoring TAS2R5, TAS2R50, TAS2R10 TOP2A 4495/4885ALDH1A1 967/4885TSHR 4345/4885
US-20120082628-A1 Oral Care Compositions With Improved Flavor TRPA1, TAS2R40, TAS2R30 TOP2A 3035/4885ALDH1A1 1558/4885TSHR 1962/4885

“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.