SCHEMBL258149

SCHEMBL258149

COc1cc(CCCCCOCCCCCc2ccc(O)c(OC)c2)ccc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.63
TSHR P16473 1/20 0.63
MAPK1 P28482 1/20 0.63
LMNA P02545 1/20 0.61
GLA P06280 1/20 0.61
PTPN1 P18031 2/20 0.59
CALM1 P0DP23 1/20 0.58
MTNR1A P48039 1/20 0.57
MTNR1B P49286 1/20 0.57
ALOX5 P09917 2/20 0.56
TUBB4A P04350 1/20 0.55
TUBB P07437 1/20 0.55
TUBA3C P0DPH7 1/20 0.55
TUBA1B P68363 1/20 0.55
TUBA4A P68366 1/20 0.55
TUBB4B P68371 1/20 0.55
TUBB3 Q13509 1/20 0.55
TUBB2A Q13885 1/20 0.55
TUBB8 Q3ZCM7 1/20 0.55
TUBA3E Q6PEY2 1/20 0.55

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
SCHEMBL17046502 1.00 TAAR1 (0.63) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL3245187 0.98 TAAR1 (0.65) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL3239644 0.93 TAAR1 (0.67) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL9762628 0.93 TAAR1 (0.55) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL21402276 0.92 TAAR1 (0.58) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL18454017 0.91 HTR1A (0.64) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL21402284 0.91 TAAR1 (0.59) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL9281549 0.90 TAAR1 (0.76) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL10763724 0.86 TAAR1 (0.71) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL5072123 0.86 TAAR1 (0.76) 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 267 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114588246-A Balanced metabolism formula 上海慕韩斋健康管理咨询有限公司 2022-06-07 CN claimed
CN-113143838-A Light compact shaping product and preparation method thereof 广东丽姿生物科技有限公司 2021-07-23 CN claimed
EP-1517880-B1 PRODUCTION OF CIS-PELLITORIN AND USE AS A FLAVOURING SYMRISE AG (DE) 2011-01-05 EP 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
EP-1167435-B1 Inclusion compounds of vanillyl alcohol derivative in cyclodextrin and compositions containing the same TAKASAGO PERFUMERY CO LTD (JP) 2004-12-01 EP claimed
US-20040086476-A1 Anti-dandruff and anti-itch compositions containing sensate and sensate enhancer-containing compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. 2004-05-06 US claimed
US-20030161802-A1 Anti-dandruff and anti-itch compositions containing sensate and sensate enhancer-containing compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. 2003-08-28 US claimed
CN-1436520-A Antiscurf and antiitch composition containing sensory agent and sensory intensifier compound INT FLAVORS & FRAGRANCES INC (US) 2003-08-20 CN claimed
EP-1332772-A2 Anti-dandruff and anti-itch compositions containing a cooling sensate material and a cooling sensate enhancer INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2003-08-06 EP claimed
US-6570010-B2 Comprises a cyclodextrin or a branched cyclodextrin and a vanillyl alcohol derivative, such as vanillyl-n butyl ether TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-05-27 US claimed
US-20020013235-A1 Inclusion compounds of vanillyl alcohol derivative in cyclodextrin and compositions containing the same TAKASAGO INTERNATIONAL CORPORATION 2002-01-31 US claimed
EP-1167435-A2 Inclusion compounds of vanillyl alcohol derivative in cyclodextrin and compositions containing the same Takasago International Corporation (JP) 2002-01-02 EP claimed
CN-122031449-A External pharmaceutical composition containing loxoprofen and diclofenac 第一三共健康事业株式会社 2026-05-15 CN disclosed
CN-122031446-A External pharmaceutical composition containing loxoprofen and felbinac 第一三共健康事业株式会社 2026-05-15 CN disclosed
EP-1186289-A2 Method and agent for enhancing diffusivity and long-lasting property of fragrance. Takasago International Corporation (JP) 2002-03-13 EP disclosed
US-20020013235-A1 Inclusion compounds of vanillyl alcohol derivative in cyclodextrin and compositions containing the same TAKASAGO INTERNATIONAL CORPORATION 2002-01-31 US disclosed
EP-1167435-A2 Inclusion compounds of vanillyl alcohol derivative in cyclodextrin and compositions containing the same Takasago International Corporation (JP) 2002-01-02 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.