SCHEMBL19839958

SCHEMBL19839958

COc1cc(CC(=O)OCCC(C)CCCC(C)C)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.55
TSHR P16473 2/20 0.52
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
POLB P06746 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
NFKB1 P19838 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
FOS P01100 1/20 0.46
TTR P02766 1/20 0.46
JUN P05412 1/20 0.46

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
SCHEMBL30242334 0.90 TSHR (0.58) TSHRMEN1CYP1A2POLBCYP3A4
SCHEMBL17179832 0.90 TSHR (0.58) TSHRMEN1CYP1A2POLBCYP3A4
SCHEMBL17655545 0.88 CYP3A4 (0.60) TRPV1TSHRMEN1CYP1A2POLB
SCHEMBL19839967 0.83 ALOX15 (0.49) TRPV1TSHRALDH1A1GAANFKB1
SCHEMBL21046217 0.83 ALOX15 (0.49) TRPV1TSHRALDH1A1GAANFKB1
SCHEMBL19839960 0.83 ALOX15 (0.49) TRPV1TSHRALDH1A1GAANFKB1
SCHEMBL31432604 0.80 TSHR (0.61) TSHRMEN1CYP1A2POLBCYP3A4
SCHEMBL17179836 0.80 TSHR (0.61) TSHRMEN1CYP1A2POLBCYP3A4
SCHEMBL25061851 0.79 TSHR (0.60) TSHRCYP3A4ALDH1A1GAANFKB1
SCHEMBL17179861 0.79 ALDH1A1 (0.60) TRPV1TSHRCYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3494104-B1 WARMING SENSATION COMPOUNDS TAKASAGO PERFUMERY CO LTD (JP) 2023-11-15 EP disclosed
CN-109803948-B Warming sensation compound 高砂香料工业株式会社 2022-03-01 CN disclosed
US-11059771-B2 Warming sensation compounds TAKASAGO INTERNATIONAL CORPORATION (JP) 2021-07-13 US disclosed
US-11034644-B2 2021-06-15 US disclosed
EP-3494104-A1 WARMING SENSATION COMPOUNDS Takasago International Corporation (JP) 2019-06-12 EP disclosed
US-20190169111-A1 WARMING SENSATION COMPOUNDS TAKASAGO INTERNATIONAL CORPORATION (JP) 2019-06-06 US disclosed
WO-2018027202-A1 WARMING SENSATION COMPOUNDS TAKASAGO INTERNATIONAL CORPORATION (USA) (US) 2018-02-08 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 (3 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-11059771-B2 Warming sensation compounds TRPA1, TRPV1, TRPV4 TRPV1 2/4885TSHR 3146/4885MEN1 2560/4885
US-11034644-B2 TRPA1, TRPV1, TRPV5 TRPV1 2/4885TSHR 3981/4885MEN1 2867/4885
US-20190169111-A1 WARMING SENSATION COMPOUNDS TRPA1, TRPV1, TRPV4 TRPV1 2/4885TSHR 3146/4885MEN1 2560/4885

“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.