SCHEMBL18639902

SCHEMBL18639902

CCC(CCC(C)C)C(O)=S

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
CA2 P00918 4/20 0.33
MAPK1 P28482 1/20 0.33
CA12 O43570 3/20 0.32
CA1 P00915 3/20 0.32
CA9 Q16790 3/20 0.32
GAA P10253 1/20 0.30
TSHR P16473 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
SCHEMBL7712355 0.89 CA2 (0.39) SLC1A3SLC1A2SLC1A1CA2MAPK1
SCHEMBL7515469 0.79
SCHEMBL9542808 0.78
SCHEMBL7712359 0.75 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1CA2MAPK1
SCHEMBL1920048 0.75 CA2 (0.60) SLC1A3SLC1A2SLC1A1CA2MAPK1
SCHEMBL584092 0.75 CA2 (0.60) SLC1A3SLC1A2SLC1A1CA2MAPK1
SCHEMBL18307368 0.75 CA2 (0.60) SLC1A3SLC1A2SLC1A1CA2MAPK1
SCHEMBL7509588 0.73 CA2 (0.41) CA2MAPK1CA1TSHR
SCHEMBL9248535 0.73 CA2 (0.52) SLC1A2SLC1A1CA2MAPK1CA1
SCHEMBL28832730 0.72 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1CA2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3350295-A1 PERFUME COMPOSITION COMPRISING FRAGRANCE MODULATOR COMPOUNDS AND 1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE COMPOUNDS FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE Henkel AG & Co. KGaA (DE) 2018-07-25 EP claimed
EP-3349861-A1 PERFUME COMPOSITION COMPRISING FRAGRANCE MODULATOR COMPOUNDS AND SILICIC ACID ESTERS FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE Henkel AG & Co. KGaA (DE) 2018-07-25 EP claimed
EP-3350296-A1 PERFUME COMPOSITION COMPRISING AN ODOR MODULATOR COMPOUND, AMINO ALCOHOL AND ODORIFEROUS ALDEHYDE AND/OR ODORIFEROUS KETONE FOR INCREASING AND PROLONGING ODOR INTENSITY Henkel AG & Co. KGaA (DE) 2018-07-25 EP claimed
EP-3350297-A1 TRANSPARENT LIQUIDS, IN PARTICULAR FABRIC TREATMENT AGENTS, CONTAINING PERFUME AND MICROCAPSULES WITH AN ODOR MODULATOR COMPOUND Henkel AG & Co. KGaA (DE) 2018-07-25 EP claimed
WO-2017046051-A1 PERFUME COMPOSITION COMPRISING FRAGRANCE MODULATOR COMPOUNDS AND 1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE COMPOUNDS FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE HENKEL AG & CO. KGAA (DE) 2017-03-23 WO claimed
WO-2017046282-A1 TRANSPARENT LIQUIDS, IN PARTICULAR FABRIC TREATMENT AGENTS, CONTAINING PERFUME AND MICROCAPSULES WITH AN ODOR MODULATOR COMPOUND HENKEL AG & CO. KGAA (DE) 2017-03-23 WO claimed
WO-2017046055-A1 PERFUME COMPOSITIONS COMPRISING MICROCAPSULES, FRAGRANCE MODULATOR COMPOUNDS AND FRAGRANCE RAW MATERIAL FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE HENKEL AG & CO. KGAA (DE) 2017-03-23 WO claimed
WO-2017046050-A1 LIQUID CLEANING AGENT HAVING OPTIMIZED SCENT HENKEL AG & CO. KGAA (DE) 2017-03-23 WO claimed
WO-2017046052-A1 PERFUME COMPOSITION COMPRISING FRAGRANCE MODULATOR COMPOUNDS AND SILICIC ACID ESTERS FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE HENKEL AG & CO. KGAA (DE) 2017-03-23 WO claimed
WO-2017046054-A1 PERFUME COMPOSITION COMPRISING AN ODOR MODULATOR COMPOUND, AMINO ALCOHOL AND ODORIFEROUS ALDEHYDE AND/OR ODORIFEROUS KETONE FOR INCREASING AND PROLONGING ODOR INTENSITY HENKEL AG & CO. KGAA (DE) 2017-03-23 WO claimed
US-10920176-B2 Transparent liquids, in particular fabric treatment agents, comprising perfume and microcapsules with an odor modulator compound HENKEL AG & CO. KGAA (DE) 2021-02-16 US disclosed
EP-3350295-A1 PERFUME COMPOSITION COMPRISING FRAGRANCE MODULATOR COMPOUNDS AND 1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE COMPOUNDS FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE Henkel AG & Co. KGaA (DE) 2018-07-25 EP disclosed
EP-3350297-A1 TRANSPARENT LIQUIDS, IN PARTICULAR FABRIC TREATMENT AGENTS, CONTAINING PERFUME AND MICROCAPSULES WITH AN ODOR MODULATOR COMPOUND Henkel AG & Co. KGaA (DE) 2018-07-25 EP disclosed
EP-3349861-A1 PERFUME COMPOSITION COMPRISING FRAGRANCE MODULATOR COMPOUNDS AND SILICIC ACID ESTERS FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE Henkel AG & Co. KGaA (DE) 2018-07-25 EP disclosed
EP-3350296-A1 PERFUME COMPOSITION COMPRISING AN ODOR MODULATOR COMPOUND, AMINO ALCOHOL AND ODORIFEROUS ALDEHYDE AND/OR ODORIFEROUS KETONE FOR INCREASING AND PROLONGING ODOR INTENSITY Henkel AG & Co. KGaA (DE) 2018-07-25 EP disclosed
WO-2017046058-A1 PERFUME COMPOSITION HAVING ODOR MODULATOR COMPOUNDS FOR INCREASING ODOR INTENSITY HENKEL AG & CO. KGAA (DE) 2017-03-23 WO disclosed
WO-2017046050-A1 LIQUID CLEANING AGENT HAVING OPTIMIZED SCENT HENKEL AG & CO. KGAA (DE) 2017-03-23 WO disclosed
WO-2017046055-A1 PERFUME COMPOSITIONS COMPRISING MICROCAPSULES, FRAGRANCE MODULATOR COMPOUNDS AND FRAGRANCE RAW MATERIAL FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE HENKEL AG & CO. KGAA (DE) 2017-03-23 WO disclosed
WO-2017046054-A1 PERFUME COMPOSITION COMPRISING AN ODOR MODULATOR COMPOUND, AMINO ALCOHOL AND ODORIFEROUS ALDEHYDE AND/OR ODORIFEROUS KETONE FOR INCREASING AND PROLONGING ODOR INTENSITY HENKEL AG & CO. KGAA (DE) 2017-03-23 WO disclosed
WO-2017046052-A1 PERFUME COMPOSITION COMPRISING FRAGRANCE MODULATOR COMPOUNDS AND SILICIC ACID ESTERS FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE HENKEL AG & CO. KGAA (DE) 2017-03-23 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 (1 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-10920176-B2 Transparent liquids, in particular fabric treatment agents, comprising perfume and microcapsules with an odor modulator compound NEFM, TRPA1, ALOX5 SLC1A3 4876/4885SLC1A2 4839/4885SLC1A1 4874/4885

“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.