SCHEMBL868400

SCHEMBL868400

CCC=CC(O)CCCCC

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.59
DDAH1 O94760 1/20 0.59
GAPDH P04406 1/20 0.59
MAPT P10636 1/20 0.59
PPARG P37231 2/20 0.47
GPR132 Q9UNW8 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.45
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44
FPR2 P25090 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
OXER1 Q8TDS5 1/20 0.43
FAAH O00519 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
SCHEMBL868399 1.00 TRPA1 (0.59) TRPA1DDAH1GAPDHMAPTPPARG
SCHEMBL13952533 1.00 TRPA1 (0.59) TRPA1DDAH1GAPDHMAPTPPARG
SCHEMBL4104509 0.98 TRPA1 (0.57) TRPA1DDAH1GAPDHMAPTPPARG
SCHEMBL11313087 0.98 TRPA1 (0.57) TRPA1DDAH1GAPDHMAPTPPARG
SCHEMBL28600217 0.98 TRPA1 (0.57) TRPA1DDAH1GAPDHMAPTPPARG
SCHEMBL11313083 0.98 TRPA1 (0.57) TRPA1DDAH1GAPDHMAPTPPARG
SCHEMBL10899903 0.93 MAPT (0.50) TRPA1DDAH1GAPDHMAPTPPARG
SCHEMBL17304913 0.93 MAPT (0.50) TRPA1DDAH1GAPDHMAPTPPARG
Acetic Acid SCHEMBL28658185 0.89 PPARG (0.55) TRPA1DDAH1GAPDHMAPTPPARG
SCHEMBL10946551 0.86 PPARG (0.53) TRPA1DDAH1GAPDHMAPTPPARG

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 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336966-B2 Fragrance compositions and uses thereof THE PROCTER & GAMBLE COMPANY (US) 2019-07-02 US claimed
US-9814661-B2 Fragrance compositions THE PROCTER & GAMBLE COMPANY (US) 2017-11-14 US claimed
EP-2961374-B1 FRAGRANCE COMPOSITIONS PROCTER & GAMBLE (US) 2017-01-25 EP claimed
US-20150164764-A1 Fragrance Compositions THE PROCTER & GAMBLE COMPANY 2015-06-18 US claimed
EP-2812316-A2 AGENT FOR INHIBITING ODOR OF PYRAZINE DERIVATIVES Kao Corporation (JP) 2014-12-17 EP claimed
WO-2013171535-A2 AGENT FOR INHIBITING ODOR OF PYRAZINE DERIVATIVES KAO CORPORATION (JP) 2013-11-21 WO claimed
EP-4716732-A1 USE OF ALKYL 4-ALKOXYPENTANOATES AS AROMA CHEMICALS BASF SE (DE) 2026-04-01 EP disclosed
US-12508218-B2 Coating compositions COTY INC. (US) 2025-12-30 US disclosed
EP-3103523-B1 ABSORBENT ARTICLE COMPRISING FRAGRANCE COMPOSITION PROCTER & GAMBLE (US) 2025-10-29 EP disclosed
US-20250152487-A1 FRAGRANCE COMPOSITIONS AND USES THEREOF COTY INC. 2025-05-15 US disclosed
US-20250127707-A1 FRAGRANCE FORMULATION COTY INC. 2025-04-24 US disclosed
US-20250127694-A1 FRAGRANCE COMPOSITIONS AND USES THEREOF COTY INC. 2025-04-24 US disclosed
US-12178896-B2 Fragrance compositions and uses thereof COTY INC. (US) 2024-12-31 US disclosed
US-20150164764-A1 Fragrance Compositions THE PROCTER & GAMBLE COMPANY 2015-06-18 US disclosed
WO-2014183883-A1 CYCLIC ACETALS AND KETALS AND USE THEREOF AS FRAGRANCE SYMRISE AG (DE) 2014-11-20 WO disclosed
EP-2803666-A1 Cyclic acetals and ketals and their use as fragrance compounds Symrise AG (DE) 2014-11-19 EP disclosed
US-20140170194-A1 FRAGRANCE MATERIALS THE PROCTER & GAMBLE COMPANY (US) 2014-06-19 US disclosed
EP-2287158-B1 Ambergris Odorous Substance based on 9-Methanoazuleno(5,6-d)-1,3-dioxoles SYMRISE AG (DE) 2012-11-14 EP disclosed
US-20120077722-A1 AMBERGRIS FRAGRANCE SYMRISE AG (DE) 2012-03-29 US disclosed
EP-2287158-A1 Ambergris Odorous Substance based on 9-Methanoazuleno(5,6-d)-1,3-dioxoles Symrise AG (DE) 2011-02-23 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 (8 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-12178896-B2 Fragrance compositions and uses thereof FHIT, ALG3, FEM1B TRPA1 7/4885DDAH1 1114/4885GAPDH 944/4885
US-20250127694-A1 FRAGRANCE COMPOSITIONS AND USES THEREOF TRPA1, TRPV1, NAA40 TRPA1 1/4885DDAH1 959/4885GAPDH 1552/4885
US-20150164764-A1 Fragrance Compositions OGG1, ALKBH5, MYB TRPA1 13/4885DDAH1 3133/4885GAPDH 1328/4885
US-20250127707-A1 FRAGRANCE FORMULATION PUF60, POLM, ADH5 TRPA1 21/4885DDAH1 2242/4885GAPDH 212/4885
US-20120077722-A1 AMBERGRIS FRAGRANCE TRPA1, TAS2R31, TAS2R1 TRPA1 1/4885DDAH1 4095/4885GAPDH 2616/4885
US-10336966-B2 Fragrance compositions and uses thereof CUTA, DPM1, PLIN5 TRPA1 6/4885DDAH1 309/4885GAPDH 2582/4885
US-12508218-B2 Coating compositions TAS2R40, TAS2R20, TAS2R10 TRPA1 90/4885DDAH1 4348/4885GAPDH 157/4885
US-20250152487-A1 FRAGRANCE COMPOSITIONS AND USES THEREOF FHIT, ALG3, FEM1B TRPA1 7/4885DDAH1 1114/4885GAPDH 944/4885

“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.