SCHEMBL5379147

SCHEMBL5379147

CC(O)CCCC(C)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.52
TRPA1 O75762 4/20 0.48
TAAR1 Q96RJ0 3/20 0.48
AOC3 Q16853 2/20 0.44
LMNA P02545 2/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2C P18825 1/20 0.42
HIF1A Q16665 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL7041635 0.87 RIPK1 (0.55) RIPK1TRPA1TAAR1AOC3LMNA
SCHEMBL19160055 0.83 RIPK1 (0.52) RIPK1TRPA1TAAR1AOC3LMNA
SCHEMBL14462418 0.82 RIPK1 (0.50) RIPK1TRPA1TAAR1AOC3LMNA
SCHEMBL30148108 0.81 TRPA1 (0.60) RIPK1TRPA1TAAR1AOC3LMNA
Hydrogen Peroxide SCHEMBL2352490 0.81 RIPK1 (0.53) RIPK1TRPA1TAAR1AOC3LMNA
SCHEMBL624310 0.81 TRPA1 (0.60) RIPK1TRPA1TAAR1AOC3LMNA
SCHEMBL7883796 0.80 TACR1 (0.41) RIPK1TRPA1TAAR1AOC3LMNA
SCHEMBL6280516 0.79 RIPK1 (0.67) RIPK1TRPA1TAAR1AOC3ADRA2A
SCHEMBL8983535 0.79 RIPK1 (0.52) RIPK1TRPA1TAAR1AOC3
SCHEMBL1144321 0.79 TRPA1 (0.58) RIPK1TRPA1TAAR1AOC3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115651762-A Alcohol with floral scent 弗门尼舍有限公司 2023-01-31 CN disclosed
US-10370616-B2 Alcohol with floral odor FIRMENICH SA (CH) 2019-08-06 US disclosed
US-10370616-B2 Alcohol with floral odor FIRMENICH SA (CH) 2019-08-06 US disclosed
US-20180237725-A1 ALCOHOL WITH FLORAL ODOR FIRMENICH SA (CH) 2018-08-23 US disclosed
US-9982218-B2 Alcohol with floral odor FIRMENICH SA (CH) 2018-05-29 US disclosed
US-9982218-B2 Alcohol with floral odor FIRMENICH SA (CH) 2018-05-29 US disclosed
US-9982218-B2 Alcohol with floral odor FIRMENICH SA (CH) 2018-05-29 US disclosed
EP-3066184-B1 ALCOHOL WITH FLORAL ODOR FIRMENICH & CIE (CH) 2017-08-23 EP disclosed
EP-3066184-B1 ALCOHOL WITH FLORAL ODOR FIRMENICH & CIE (CH) 2017-08-23 EP disclosed
US-20160264910-A1 ALCOHOL WITH FLORAL ODOR FIRMENICH SA (CH) 2016-09-15 US disclosed
US-20160264910-A1 ALCOHOL WITH FLORAL ODOR FIRMENICH SA (CH) 2016-09-15 US disclosed
US-20160264910-A1 ALCOHOL WITH FLORAL ODOR FIRMENICH SA (CH) 2016-09-15 US disclosed
EP-3066184-A1 ALCOHOL WITH FLORAL ODOR Firmenich SA (CH) 2016-09-14 EP disclosed
WO-2015067452-A1 ALCOHOL WITH FLORAL ODOR FIRMENICH SA (CH) 2015-05-14 WO disclosed
WO-2015067452-A1 ALCOHOL WITH FLORAL ODOR FIRMENICH SA (CH) 2015-05-14 WO disclosed
US-7201915-B2 Polyamide stick dispensing product and method of use INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2007-04-10 US disclosed
US-20050079143-A1 Polyamide stick dispensing product and method of use INTERNATIONAL FLAVORS & FRAGRANCES INC. 2005-04-14 US disclosed
EP-1522233-A2 Polyamide stick dispensing product and method of use INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2005-04-13 EP disclosed
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 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-20180237725-A1 ALCOHOL WITH FLORAL ODOR ADH1C, ADH1A, ADH5 RIPK1 1655/4885TRPA1 279/4885TAAR1 1054/4885
US-20160264910-A1 ALCOHOL WITH FLORAL ODOR ADH5, ADH1C, ADH1A RIPK1 2702/4885TRPA1 249/4885TAAR1 552/4885
US-10370616-B2 Alcohol with floral odor ADH1C, ADH1A, ADH5 RIPK1 1655/4885TRPA1 279/4885TAAR1 1054/4885

“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.