SCHEMBL1781438

SCHEMBL1781438

CC(C)(C)CC/C=C/C=O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.43
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 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
SCHEMBL1781439 1.00 TRPA1 (0.43) TRPA1ALDH1A1TSHRMAPK1
SCHEMBL1786350 0.87 ALDH1A1 (0.46) TRPA1ALDH1A1TSHR
SCHEMBL1786351 0.87 ALDH1A1 (0.46) TRPA1ALDH1A1TSHR
SCHEMBL1782363 0.85 ALDH1A1 (0.50) TRPA1ALDH1A1TSHR
SCHEMBL1782360 0.85 ALDH1A1 (0.50) TRPA1ALDH1A1TSHR
SCHEMBL31607965 0.83 TSHR (0.48) TRPA1ALDH1A1TSHR
SCHEMBL1781389 0.80 TRPA1 (0.46) TRPA1ALDH1A1TSHRMAPK1
SCHEMBL1781390 0.80 TRPA1 (0.46) TRPA1ALDH1A1TSHRMAPK1
SCHEMBL29519646 0.80 ALDH1A1 (0.61) TRPA1ALDH1A1TSHR
SCHEMBL1786334 0.77 TRPA1 (0.42) TRPA1ALDH1A1TSHR

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-111050856-B Methods for identifying positive allosteric modulators of odorant receptors 弗门尼舍有限公司 2024-12-31 CN claimed
US-11921105-B2 Method for identifying positive allosteric modulators for odorant receptors FIRMENICH SA (CH) 2024-03-05 US claimed
US-11530366-B2 Use of volatile compounds to modulate the perception of musk FIRMENICH SA (CH) 2022-12-20 US claimed
US-20200408738-A1 METHOD FOR IDENTIFYING POSITIVE ALLOSTERIC MODULATORS FOR ODORANT RECEPTORS FIRMENICH SA (CH) 2020-12-31 US claimed
EP-3703823-A1 USE OF VOLATILE COMPOUNDS TO MODULATE THE PERCEPTION OF MUSK Firmenich SA (CH) 2020-09-09 EP claimed
EP-3658236-A1 METHOD FOR IDENTIFYING POSITIVE ALLOSTERIC MODULATORS FOR ODORANT RECEPTORS Firmenich SA (CH) 2020-06-03 EP claimed
CN-111050856-A Methods of identifying positive allosteric modulators of odorant receptors 弗门尼舍有限公司 2020-04-21 CN claimed
CN-111050856-B Methods for identifying positive allosteric modulators of odorant receptors 弗门尼舍有限公司 2024-12-31 CN disclosed
US-11921105-B2 Method for identifying positive allosteric modulators for odorant receptors FIRMENICH SA (CH) 2024-03-05 US disclosed
US-20230125249-A1 USE OF VOLATILE COMPOUNDS TO MODULATE THE PERCEPTION OF MUSK FIRMENICH SA (CH) 2023-04-27 US disclosed
US-11530366-B2 Use of volatile compounds to modulate the perception of musk FIRMENICH SA (CH) 2022-12-20 US disclosed
US-20200408738-A1 METHOD FOR IDENTIFYING POSITIVE ALLOSTERIC MODULATORS FOR ODORANT RECEPTORS FIRMENICH SA (CH) 2020-12-31 US disclosed
US-20200385648-A1 USE OF VOLATILE COMPOUNDS TO MODULATE THE PERCEPTION OF MUSK FIRMENICH, SA (CH) 2020-12-10 US disclosed
EP-3703823-A1 USE OF VOLATILE COMPOUNDS TO MODULATE THE PERCEPTION OF MUSK Firmenich SA (CH) 2020-09-09 EP disclosed
EP-3658236-A1 METHOD FOR IDENTIFYING POSITIVE ALLOSTERIC MODULATORS FOR ODORANT RECEPTORS Firmenich SA (CH) 2020-06-03 EP disclosed
CN-111050856-A Methods of identifying positive allosteric modulators of odorant receptors 弗门尼舍有限公司 2020-04-21 CN disclosed
US-8632792-B2 Cooling sensation agent composition and sensory stimulation agent composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-01-21 US disclosed
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-05-19 US disclosed
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 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 (4 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-11530366-B2 Use of volatile compounds to modulate the perception of musk TRPA1, CMPK1, PLK3 TRPA1 1/4885ALDH1A1 2415/4885TSHR 4454/4885
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TRPA1, HRH1, HRH2 TRPA1 1/4885ALDH1A1 520/4885TSHR 2479/4885
US-20200385648-A1 USE OF VOLATILE COMPOUNDS TO MODULATE THE PERCEPTION OF MUSK TRPA1, CMPK1, PLK3 TRPA1 1/4885ALDH1A1 2415/4885TSHR 4454/4885
US-20230125249-A1 USE OF VOLATILE COMPOUNDS TO MODULATE THE PERCEPTION OF MUSK TRPA1, TRPM5, TRPM8 TRPA1 1/4885ALDH1A1 3170/4885TSHR 4418/4885

“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.