SCHEMBL21986512

SCHEMBL21986512

COC(C)(C)CCCC(C)/C=C/C=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAPDH P04406 2/20 0.36
TRPA1 O75762 1/20 0.36
DDAH1 O94760 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL29619785 0.82 ALDH1A1 (0.41) ALDH1A1LMNACYP3A4TDP1
SCHEMBL225537 0.82 ALDH1A1 (0.41) ALDH1A1LMNACYP3A4TDP1
SCHEMBL1171382 0.76 ALDH1A1 (0.39) ALDH1A1LMNACYP3A4TDP1
SCHEMBL21464161 0.76 ALDH1A1 (0.41) ALDH1A1LMNACYP3A4TDP1
SCHEMBL11029225 0.74 CYP3A4 (0.38) ALDH1A1LMNACYP3A4TDP1
SCHEMBL10865418 0.73 ALDH1A1 (0.34) ALDH1A1LMNACYP3A4TDP1
SCHEMBL20819487 0.71 CYP3A4 (0.52) ALDH1A1LMNACYP3A4TDP1
SCHEMBL6798521 0.71 ALDH1A1 (0.40) ALDH1A1LMNACYP3A4TDP1
SCHEMBL113867 0.71 CYP3A4 (0.52) ALDH1A1LMNACYP3A4TDP1
SCHEMBL1783759 0.71 GAPDH (0.39) LMNAGAPDHTRPA1DDAH1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11921105-B2 Method for identifying positive allosteric modulators for odorant receptors FIRMENICH SA (CH) 2024-03-05 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

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-11530366-B2 Use of volatile compounds to modulate the perception of musk TRPA1, CMPK1, PLK3 ALDH1A1 2415/4885LMNA 1412/4885CYP3A4 1400/4885
US-20200385648-A1 USE OF VOLATILE COMPOUNDS TO MODULATE THE PERCEPTION OF MUSK TRPA1, CMPK1, PLK3 ALDH1A1 2415/4885LMNA 1412/4885CYP3A4 1400/4885
US-20230125249-A1 USE OF VOLATILE COMPOUNDS TO MODULATE THE PERCEPTION OF MUSK TRPA1, TRPM5, TRPM8 ALDH1A1 3170/4885LMNA 1504/4885CYP3A4 1581/4885

“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.