SCHEMBL3239644

SCHEMBL3239644

COc1cc(CCCOCCCc2ccc(O)c(OC)c2)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.67
TSHR P16473 2/20 0.67
MAPK1 P28482 1/20 0.67
LMNA P02545 1/20 0.65
GLA P06280 1/20 0.65
PTPN1 P18031 2/20 0.63
CALM1 P0DP23 1/20 0.61
MTNR1A P48039 1/20 0.60
MTNR1B P49286 1/20 0.60
ALOX5 P09917 3/20 0.58
OR51E2 Q9H255 1/20 0.58
MET P08581 2/20 0.58
NOS2 P35228 1/20 0.56
FOS P01100 1/20 0.56
TTR P02766 1/20 0.56
JUN P05412 1/20 0.56
NR3C1 P04150 1/20 0.56
HSD17B1 P14061 1/20 0.56
HSD17B2 P37059 1/20 0.56
ALDH1A1 P00352 2/20 0.54

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
SCHEMBL3245187 0.95 TAAR1 (0.65) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL17046502 0.93 TAAR1 (0.63) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL258149 0.93 TAAR1 (0.63) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL21402270 0.92 TAAR1 (0.61) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL18454017 0.91 HTR1A (0.64) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL223827 0.90 TAAR1 (0.67) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL10763724 0.89 TAAR1 (0.71) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL9281549 0.89 TAAR1 (0.76) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL5072123 0.89 TAAR1 (0.76) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL29191829 0.87 TAAR1 (0.59) TAAR1TSHRMAPK1LMNAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119655345-A Coffee replica made from a single component 航行食品股份有限公司 2025-03-21 CN claimed
EP-1896557-B1 FLAVOR AND FRAGRANCE COMPOSITION TAKASAGO PERFUMERY CO LTD (JP) 2010-05-05 EP claimed
US-20090275669-A1 Flavor and fragrance composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-11-05 US claimed
EP-1896557-A1 FLAVOR AND FRAGRANCE COMPOSITION Takasago International Corporation (JP) 2008-03-12 EP claimed
WO-2006137556-A1 FLAVOR AND FRAGRANCE COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-12-28 WO claimed
CN-119655345-A Coffee replica made from a single component 航行食品股份有限公司 2025-03-21 CN disclosed
CN-118043443-A Use of vanillyl ether for modifying the flavour of distilled spirits 弗门尼舍公司 2024-05-14 CN disclosed
CN-116370204-A Absorbent article 尤妮佳股份有限公司 2023-07-04 CN disclosed
EP-1649759-B1 FLAVOR ENHANCER, FOOD OR BEVERAGE CONTAINING THE FLAVOR ENHANCER, AND METHOD OF FLAVOR ENHANCEMENT TAKASAGO PERFUMERY CO LTD (JP) 2010-06-30 EP disclosed
EP-1896557-B1 FLAVOR AND FRAGRANCE COMPOSITION TAKASAGO PERFUMERY CO LTD (JP) 2010-05-05 EP disclosed
US-20090275669-A1 Flavor and fragrance composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-11-05 US disclosed
EP-1896557-A1 FLAVOR AND FRAGRANCE COMPOSITION Takasago International Corporation (JP) 2008-03-12 EP disclosed
WO-2006137556-A1 FLAVOR AND FRAGRANCE COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-12-28 WO disclosed
US-20060159818-A1 Flavor enhancer, food or beverage containing the flavor enhancer, and method of flavor enhancement TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-07-20 US disclosed
EP-1649759-A1 FLAVOR ENHANCER, FOOD OR BEVERAGE CONTAINING THE FLAVOR ENHANCER, AND METHOD OF FLAVOR ENHANCEMENT Takasago International Corporation (JP) 2006-04-26 EP 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-20090275669-A1 Flavor and fragrance composition TAS2R40, TAS2R1, TAS2R50 TAAR1 471/4885TSHR 3954/4885MAPK1 848/4885

“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.