SCHEMBL3233226

SCHEMBL3233226

[CH2]C(C)CCC1=C(C)CCCC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TRPA1 O75762 5/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
RARB P10826 2/20 0.39
RARG P13631 2/20 0.39
RARA P10276 1/20 0.39
RXRA P19793 1/20 0.39
ACE2 Q9BYF1 3/20 0.36
PDCD1 Q15116 2/20 0.36
CD274 Q9NZQ7 2/20 0.36
ALOX5 P09917 1/20 0.35
ALOX15 P16050 1/20 0.35
ACHE P22303 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
SCHEMBL18727653 0.86 ALDH1A1 (0.43) ALDH1A1GAAMAPTNPSR1TRPA1
SCHEMBL891527 0.83 ALDH1A1 (0.45) ALDH1A1GAAMAPTNPSR1TRPA1
SCHEMBL11643325 0.82 ALDH1A1 (0.39) ALDH1A1GAAMAPTNPSR1TRPA1
SCHEMBL11793969 0.81 ALDH1A1 (0.41) ALDH1A1GAAMAPTNPSR1TRPA1
SCHEMBL3148661 0.80 MEN1 (0.44) ALDH1A1GAAMAPTNPSR1TRPA1
SCHEMBL3146722 0.79 ALDH1A1 (0.42) ALDH1A1GAAMAPTNPSR1TRPA1
SCHEMBL454132 0.79 ALDH1A1 (0.42) ALDH1A1GAAMAPTNPSR1TRPA1
SCHEMBL21574083 0.79 MEN1 (0.46) ALDH1A1GAAMAPTNPSR1TRPA1
Iodide SCHEMBL11792583 0.79 ALDH1A1 (0.39) ALDH1A1GAAMAPTNPSR1TRPA1
SCHEMBL4913470 0.79 ALDH1A1 (0.42) ALDH1A1GAAMAPTNPSR1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7667230-B2 Electronic devices containing acene-thiophene copolymers 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-02-23 US disclosed
US-7608679-B2 for use in semiconductors, electronics such as organic thin film transistors, light emitting diodes, and photovoltaic cells 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-10-27 US disclosed
EP-2001925-A2 ELECTRONIC DEVICES CONTAINING ACENE-THIOPHENE COPOLYMERS 3M Innovative Properties Company (US) 2008-12-17 EP disclosed
EP-2001926-A2 ACENE-THIOPHENE COPOLYMERS 3M Innovative Properties Company (US) 2008-12-17 EP disclosed
WO-2007117872-A2 ELECTRONIC DEVICES CONTAINING ACENE-THIOPHENE COPOLYMERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-10-18 WO disclosed
WO-2007115021-A2 ACENE-THIOPHENE COPOLYMERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-10-11 WO disclosed
US-20070232781-A1 ACENE-THIOPHENE COPOLYMERS 3M INNOVATIVE PROPERTIES COMPANY 2007-10-04 US disclosed
US-20070228360-A1 ELECTRONIC DEVICES CONTAINING ACENE-THIOPHENE COPOLYMERS 3M INNOVATIVE PROPERTIES COMPANY 2007-10-04 US disclosed