SCHEMBL8072909

SCHEMBL8072909

CCOc1c(C)cccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 2/20 0.49
GLA P06280 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
TRPA1 O75762 2/20 0.46
ATM Q13315 1/20 0.46
SCN4A P35499 7/20 0.41
LMNA P02545 2/20 0.41
SCN1A P35498 2/20 0.41
SCN5A Q14524 2/20 0.41
SCN9A Q15858 2/20 0.41

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
SCHEMBL2319403 0.87 CA1 (0.48) ALDH1A1GAAKDM4EGLAMAPT
SCHEMBL147753 0.84 SCN4A (0.54) ALDH1A1GAAKDM4EGLAMAPT
SCHEMBL6858600 0.82 SCN8A (0.45) ALDH1A1KDM4EMAPTHSD17B10TRPA1
SCHEMBL14834564 0.80 PTPN1 (0.57) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL17817619 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTHSD17B10ATM
SCHEMBL3329675 0.79 L3MBTL1 (0.49) ALDH1A1GAAKDM4EGLAMAPT
SCHEMBL1835919 0.79 ALDH1A1 (0.45) ALDH1A1GAAKDM4EGLAMAPT
SCHEMBL34475986 0.79 ALDH1A1 (0.45) ALDH1A1GAAKDM4EGLAMAPT
SCHEMBL11288555 0.78 TRPA1 (0.54) ALDH1A1GAAKDM4EMAPTHPGD
SCHEMBL5951411 0.78 GAA (0.41) ALDH1A1GAAKDM4EGLAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025064839-A1 COMPOSITIONS AND METHODS RELATED TO THE SIMULTANEOUS MANUFACTURE AND PURIFICATION OF FLAVOR AND FRAGRANCE MOLECULES Natural Extraction Systems, LLC (US) 2025-03-27 WO claimed
EP-4493552-A2 COMPOSITIONS AND METHODS RELATED TO THE SIMULTANEOUS MANUFACTURE AND PURIFICATION OF FLAVOR AND FRAGRANCE MOLECULES Natural Extraction Systems, LLC (US) 2025-01-22 EP claimed
WO-2023178172-A2 COMPOSITIONS AND METHODS RELATED TO THE SIMULTANEOUS MANUFACTURE AND PURIFICATION OF FLAVOR AND FRAGRANCE MOLECULES Natural Extraction Systems, LLC (US) 2023-09-21 WO claimed
WO-2025064839-A1 COMPOSITIONS AND METHODS RELATED TO THE SIMULTANEOUS MANUFACTURE AND PURIFICATION OF FLAVOR AND FRAGRANCE MOLECULES Natural Extraction Systems, LLC (US) 2025-03-27 WO disclosed
EP-4493552-A2 COMPOSITIONS AND METHODS RELATED TO THE SIMULTANEOUS MANUFACTURE AND PURIFICATION OF FLAVOR AND FRAGRANCE MOLECULES Natural Extraction Systems, LLC (US) 2025-01-22 EP disclosed
WO-2023178172-A2 COMPOSITIONS AND METHODS RELATED TO THE SIMULTANEOUS MANUFACTURE AND PURIFICATION OF FLAVOR AND FRAGRANCE MOLECULES Natural Extraction Systems, LLC (US) 2023-09-21 WO disclosed
US-6013618-A ORTHOESTERS, KETALS, ACETALS, ORTHOCARBONATES WHICH RELEASE TWO OR MORE FRAGRANCE RAW MATERIALS UPON HYDROLYSIS PROCTER & GAMBLE COMPANY (US) 2000-01-11 US disclosed