SCHEMBL4057658

SCHEMBL4057658

CC(C)(C)c1cc([C]=O)cc([C]=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
POLB P06746 1/20 0.37
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
KIF11 P52732 1/20 0.32
HTR1D P28221 1/20 0.32
HMGCR P04035 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 1/20 0.31
HDAC4 P56524 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 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
SCHEMBL1535607 0.95 GABRA1 (0.46) GABRA1GABRB2POLBRXRARXRB
SCHEMBL1801049 0.77 HDAC8 (0.47) RXRARXRBKIF11ALDH1A1HPGD
SCHEMBL356245 0.76
SCHEMBL97044 0.74 KIF11 (0.52) RARBRARGKIF11ALDH1A1HPGD
SCHEMBL2346998 0.74 KIF11 (0.52) GABRA1GABRB2POLBKIF11HTR1D
SCHEMBL23495555 0.72 GABRA1 (0.50) GABRA1GABRB2POLBRXRARXRB
SCHEMBL1535608 0.72 POLB (0.46) GABRA1GABRB2POLBRXRARXRB
SCHEMBL27614530 0.70 GABRA1 (0.37) GABRA1GABRB2POLBRXRARXRB
SCHEMBL93161 0.69 GABRA1 (0.69) GABRA1GABRB2POLBRXRARXRB
SCHEMBL7789350 0.69 SELL (0.36) ALDH1A1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5266429-A Binders providing superior discharge and greater electron mobility EASTMAN KODAK COMPANY (US) 1993-11-30 US claimed
US-4895928-A AROMATIC POLYAMIDES AMOCO CORPORATION (US) 1990-01-23 US claimed
EP-0263593-A2 Melt-processable polymeric materials based on 5-t-butalisophthalic acid AMOCO CORPORATION (US) 1988-04-13 EP claimed
US-7579127-B2 Blocked polyisocyanates incorporating planar electron-deficient tetracobonylbisimide moieties EASTMAN KODAK COMPANY (US) 2009-08-25 US disclosed
US-20070292795-A1 Blocked polyisocyanates incorporating planar electron-deficient tetracabonylbisimide moieties EASTMAN KODAK COMPANY 2007-12-20 US disclosed
EP-0388203-B1 Melt-processible aromatic polyamides DU PONT (US) 1994-06-01 EP disclosed
US-5266429-A Binders providing superior discharge and greater electron mobility EASTMAN KODAK COMPANY (US) 1993-11-30 US disclosed
US-5115046-A Single glass transition temperature; solvent, stress, and ultraviolet radiation resistance; noncracking; tert-butyl substituted dicarboxylic acid monomer AMOCO CORPORATION (US) 1992-05-19 US disclosed
US-4895928-A AROMATIC POLYAMIDES AMOCO CORPORATION (US) 1990-01-23 US disclosed
US-4895928-A AROMATIC POLYAMIDES AMOCO CORPORATION (US) 1990-01-23 US disclosed
EP-0263593-A3 MELT-PROCESSABLE POLYMERIC MATERIALS BASED ON 5-T-BUTALISOPHTHALIC ACID AMOCO CORPORATION (US) 1988-07-27 EP disclosed
EP-0263593-A2 Melt-processable polymeric materials based on 5-t-butalisophthalic acid AMOCO CORPORATION (US) 1988-04-13 EP disclosed
EP-0263593-A2 Melt-processable polymeric materials based on 5-t-butalisophthalic acid AMOCO CORPORATION (US) 1988-04-13 EP disclosed