SCHEMBL3206648

SCHEMBL3206648

CC(C)C1CCC(C)(c2ccc3ccc4cccc5ccc2c3c45)CC1O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL21724095 0.84 SLC6A3 (0.41) ALDH1A1KDM4EMAPT
SCHEMBL7113263 0.84 SLC6A3 (0.41) ALDH1A1KDM4EMAPT
SCHEMBL8501660 0.72 SLC18A3 (0.42) MAPT
SCHEMBL2911019 0.68 ESR2 (0.36)
SCHEMBL29760431 0.68 TRPA1 (0.36) CYP3A4
SCHEMBL29266620 0.67 TRPA1 (0.31)
SCHEMBL5704572 0.64 LMNA (0.37) ALDH1A1HPGDMAPTCYP3A4
SCHEMBL27241903 0.62 TRPA1 (0.39)
SCHEMBL5500416 0.62 TRPA1 (0.42)
SCHEMBL18105685 0.62 TRPA1 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8961830-B2 Electroactive polymers containing pendant pi-interacting/binding substituents, their carbon nanotube composites, and processes to form the same UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-02-24 US disclosed
US-20100038597-A1 ELECTROACTIVE POLYMERS CONTAINING PENDANT PI-INTERACTING/BINDING SUBSTITUENTS, THEIR CARBON NANOTUBE COMPOSITES, AND PROCESSES TO FORM THE SAME UNIVERSITY OF FLORIDA RESEARCH FOUNDATION INC. (US) 2010-02-18 US disclosed
EP-2074168-A2 ELECTROACTIVE POLYMERS CONTAINING PENDANT PI-INTERACTING/BINDING SUBSTITUENTS, THEIR CARBON NANOTUBE COMPOSITES, AND PROCESSES TO FORM THE SAME University of Florida Research Foundation, Incorporated (US) 2009-07-01 EP disclosed
WO-2008046010-A2 ELECTROACTIVE POLYMERS CONTAINING PENDANT PI-INTERACTING/BINDING SUBSTITUENTS, THEIR CARBON NANOTUBE COMPOSITES, AND PROCESSES TO FORM THE SAME UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2008-04-17 WO disclosed