SCHEMBL19694064

SCHEMBL19694064

C=C(C)COC(C)CC(C)C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.30
RNPEP Q9H4A4 1/20 0.30
SLC7A5 Q01650 1/20 0.30

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
SCHEMBL19693839 0.81 TSHR (0.31) TSHR
SCHEMBL18159067 0.80 TSHR (0.41) TSHRALDH1A1
SCHEMBL28726121 0.78
SCHEMBL18959708 0.78 ALDH1A1 (0.42) TSHRALDH1A1RNPEPSLC7A5
SCHEMBL5277499 0.78
SCHEMBL12889422 0.77
SCHEMBL8965843 0.77
SCHEMBL6058537 0.75
SCHEMBL9513028 0.74 TDP1 (0.32) TSHR
SCHEMBL18784692 0.74 TDP1 (0.36) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109310602-B Fragrance material 高砂香料工业株式会社 2022-06-28 CN claimed
US-20190177653-A1 FRAGRANCE MATERIAL TAKASAGO INTERNATIONAL CORPORATION (JP) 2019-06-13 US claimed
EP-3468527-A1 FRAGRANCE MATERIAL Takasago International Corporation (JP) 2019-04-17 EP claimed
WO-2017214446-A1 FRAGRANCE MATERIAL TAKASAGO INTERNATIONAL CORPORATION (USA) (US) 2017-12-14 WO claimed
CN-109310602-B Fragrance material 高砂香料工业株式会社 2022-06-28 CN disclosed
US-10774289-B2 Fragrance material TAKASAGO INTERNATIONAL CORPORATION (JP) 2020-09-15 US disclosed
US-20190177653-A1 FRAGRANCE MATERIAL TAKASAGO INTERNATIONAL CORPORATION (JP) 2019-06-13 US disclosed
EP-3468527-A1 FRAGRANCE MATERIAL Takasago International Corporation (JP) 2019-04-17 EP disclosed
WO-2017214446-A1 FRAGRANCE MATERIAL TAKASAGO INTERNATIONAL CORPORATION (USA) (US) 2017-12-14 WO 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-20190177653-A1 FRAGRANCE MATERIAL HTR5A, FAAH2, HRH1 TSHR 4233/4885ALDH1A1 328/4885RNPEP 3772/4885
US-10774289-B2 Fragrance material HTR5A, FAAH2, HRH1 TSHR 4233/4885ALDH1A1 328/4885RNPEP 3772/4885

“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.