SCHEMBL873046

SCHEMBL873046

C/C=C(/C)C(=O)OCC(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.59
ALDH1A1 P00352 4/20 0.39
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.32
MAP3K7 O43318 1/20 0.32
TAB1 Q15750 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 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
SCHEMBL873047 1.00 TSHR (0.59) TSHRALDH1A1HPGDTDP1SMN1; SMN2
SCHEMBL1473218 1.00 TSHR (0.59) TSHRALDH1A1HPGDTDP1SMN1; SMN2
Glycine SCHEMBL28248698 0.89 TSHR (0.48) TSHRALDH1A1HPGDMAP3K7TAB1
SCHEMBL10799068 0.87 TSHR (0.47) TSHRALDH1A1HPGDSMN1; SMN2CYP2D6
SCHEMBL28250022 0.86 ALOX15 (0.46) TSHRALDH1A1HPGDTDP1SMN1; SMN2
SCHEMBL7932628 0.85 TSHR (0.44) TSHRSMN1; SMN2MAPTDHCR24
SCHEMBL7932630 0.85 TSHR (0.44) TSHRSMN1; SMN2MAPTDHCR24
SCHEMBL6062547 0.84 TSHR (0.57) TSHRALDH1A1HPGDTDP1SMN1; SMN2
SCHEMBL4219082 0.84 TSHR (0.42) TSHRMAPTCYP2D6CYP2C19DHCR24
SCHEMBL8853633 0.84 TSHR (0.42) TSHRMAPTCYP2D6CYP2C19DHCR24

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 268 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250019629-A1 GIN REPLICAS AVA FOOD LABS, INC. 2025-01-16 US claimed
EP-4430153-A1 GIN REPLICAS AVA FOOD LABS, INC. (US) 2024-09-18 EP claimed
EP-4257663-A1 FOOD CONTACT SURFACE SANITIZING LIQUID The Procter & Gamble Company (US) 2023-10-11 EP claimed
EP-3416729-B1 PRO-FRAGRANCE COMPOSITION AQDOT LTD (GB) 2023-09-20 EP claimed
WO-2023086378-A1 GIN REPLICAS AVA FOOD LABS, INC. (US) 2023-05-19 WO claimed
CN-108601958-B Pro-fragrance compositions 爱客多有限公司 2022-06-17 CN claimed
EP-3809876-A1 PROTECTIVE AGENT FOR FOOD PRODUCTS AND THE LIKE AND FOR CURING AND/OR STORAGE ROOMS OF THE SAME PERPRIN S.R.L. (IT) 2021-04-28 EP claimed
WO-2020144873-A1 OFF-FLAVOR INHIBITOR 長岡香料株式会社 2020-07-16 WO claimed
WO-2019243869-A1 PROTECTIVE AGENT FOR FOOD PRODUCTS AND THE LIKE AND FOR CURING AND/OR STORAGE ROOMS OF THE SAME PERPRIN S.R.L. (IT) 2019-12-26 WO claimed
CN-108740701-B Bitter inhibitor 长冈香料株式会社 2019-07-23 CN claimed
US-20060205632-A1 Pro-fragrance and pro-flavorant compositions FLEXITRAL, INC. 2006-09-14 US claimed
WO-2006085048-A2 PRO-FRAGRANCE AND PRO-FLAVORANT COMPOSITIONS FLEXITRAL, INC. (US) 2006-08-17 WO claimed
US-6858575-B2 Pro-perfume compositions and substrate-treating products and methods using them PROCTER & GAMBLE COMPANY (US) 2005-02-22 US claimed
EP-1448757-A1 PRO-PERFUME COMPOSITIONS USED IN CLEANING OR FABRIC TREATMENT PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2004-08-25 EP claimed
US-20030171250-A1 Pro-perfume compositions and substrate-treating products and methods using them THE PROCTER & GAMBLE COMPANY 2003-09-11 US claimed
WO-2003046118-A1 PRO-PERFUME COMPOSITIONS USED IN CLEANING OR FABRIC TREATMENT PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2003-06-05 WO claimed
EP-1314777-A1 Pro-perfume compositions used in cleaning or fabric treatment products THE PROCTER & GAMBLE COMPANY (US) 2003-05-28 EP claimed
CN-1361817-A Perfume compositions PROCTER & GAMBLE (US) 2002-07-31 CN claimed
EP-1072673-A2 Perfume compositions THE PROCTER & GAMBLE COMPANY (US) 2001-01-31 EP claimed
WO-2001005919-A2 PERFUME COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2001-01-25 WO claimed

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-20030171250-A1 Pro-perfume compositions and substrate-treating products and methods using them FASN, ALOX5, PAM TSHR 4839/4885ALDH1A1 333/4885HPGD 84/4885
US-20060205632-A1 Pro-fragrance and pro-flavorant compositions TAS2R10, TAS2R9, OR10J3 TSHR 2205/4885ALDH1A1 1201/4885HPGD 1050/4885

“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.