SCHEMBL891553

SCHEMBL891553

CCCC=C1C(=O)Oc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.56
TOP1 P11387 1/20 0.45
TOP2A P11388 1/20 0.45
HTR2B P41595 6/20 0.42
ALDH1A1 P00352 5/20 0.42
HRH1 P35367 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KCNH2 Q12809 3/20 0.42
TSHR P16473 3/20 0.42
LMNA P02545 2/20 0.42
CHRM2 P08172 2/20 0.42
HTR1A P08908 2/20 0.42
CHRM1 P11229 2/20 0.42
DRD2 P14416 2/20 0.42
ADRA2C P18825 2/20 0.42
CHRM3 P20309 2/20 0.42
SLC6A2 P23975 2/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42

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
SCHEMBL27442791 0.86 ALDH1A1 (0.53) TRPA1TOP1TOP2AHTR2BALDH1A1
SCHEMBL7162134 0.81 MIF (0.48) TRPA1TOP1TOP2AALDH1A1MEN1
SCHEMBL27423659 0.79 TOP1 (0.51) TOP1TOP2AALDH1A1MEN1KMT2A
SCHEMBL28489101 0.78 TOP1 (0.44) TRPA1TOP1TOP2AHTR2BALDH1A1
SCHEMBL27822999 0.76 TOP1 (0.51) TOP1TOP2AALDH1A1MEN1KMT2A
SCHEMBL27267330 0.75 TRPA1 (0.47) TRPA1ALDH1A1TSHRMAPK1
SCHEMBL8447771 0.75 ALDH1A1 (0.50) TRPA1TOP1TOP2AALDH1A1MEN1
SCHEMBL28287466 0.73 TRPA1 (0.50) TRPA1HTR2BALDH1A1HRH1MEN1
SCHEMBL10048820 0.72 HTR2B (0.72) HTR2BALDH1A1HRH1MEN1KMT2A
SCHEMBL8445731 0.72 TOP1 (0.56) TOP1TOP2AALDH1A1MEN1KMT2A

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
WO-2012044728-A1 ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR THE PROCTER & GAMBLE COMPANY (US) 2012-04-05 WO claimed
CN-115666262-A Animal feed composition 帝斯曼知识产权资产管理有限公司 2023-01-31 CN disclosed
CN-108601958-B Pro-fragrance compositions 爱客多有限公司 2022-06-17 CN disclosed
CN-112804883-A Animal feed composition and use thereof 帝斯曼知识产权资产管理有限公司 2021-05-14 CN disclosed
CN-112752514-A Animal feed composition and use thereof 帝斯曼知识产权资产管理有限公司 2021-05-04 CN disclosed
CN-112689461-A Animal feed composition and use thereof 帝斯曼知识产权资产管理有限公司 2021-04-20 CN disclosed
CN-112654256-A Animal feed composition and use thereof 帝斯曼知识产权资产管理有限公司 2021-04-13 CN disclosed
CN-111491519-A Animal feed compositions comprising muramidase and uses thereof 帝斯曼知识产权资产管理有限公司 2020-08-04 CN disclosed
CN-111491518-A Animal feed compositions comprising muramidase and uses thereof 帝斯曼知识产权资产管理有限公司 2020-08-04 CN disclosed
CN-111492053-A Animal feed composition and use thereof 帝斯曼知识产权资产管理有限公司 2020-08-04 CN disclosed
CN-110944643-A Application of sophorolipid as feed additive 帝斯曼知识产权资产管理有限公司 2020-03-31 CN disclosed
EP-3355849-A1 ORAL CARE COMPOSITIONS AND METHODS OF USING THE COMPOSITIONS Colgate-Palmolive Company (US) 2018-08-08 EP disclosed
US-9937115-B2 Oral care compositions with improved flavor THE PROCTER & GAMBLE COMPANY (US) 2018-04-10 US disclosed
WO-2017062019-A1 ORAL CARE COMPOSITIONS AND METHODS OF USING THE COMPOSITIONS COLGATE-PALMOLIVE COMPANY (US) 2017-04-13 WO disclosed
EP-2621462-A1 ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR The Procter and Gamble Company (US) 2013-08-07 EP 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
CN-1203781-C Application of essence extrated for sugar-cane leaves to improve taste of food INT FLAVORS & FRAGRANCES INC (US) 2005-06-01 CN 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-20120082628-A1 Oral Care Compositions With Improved Flavor TRPA1, TAS2R40, TAS2R30 TRPA1 1/4885TOP1 4151/4885TOP2A 3035/4885

“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.