SCHEMBL5200323

SCHEMBL5200323

C=Cc1cc(C(C)C)c(O)c(C(C)C)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
GABRA1 P14867 6/20 0.52
GABRB1 P18505 5/20 0.52
GABRB2 P47870 3/20 0.52
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2B6 P20813 1/20 0.50
ALOX5 P09917 1/20 0.46
EGFR P00533 1/20 0.45
FAAH O00519 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
GABRG2 P18507 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2C P28335 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44

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
SCHEMBL28558009 0.86 CA1 (0.42) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL18785330 0.83 HTT (0.43) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL28552592 0.83 CYP1A2 (0.41) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL28569874 0.83 TRPA1 (0.50) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL2597919 0.77 CA1 (0.56) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL685069 0.77 TRPA1 (0.52) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL27563767 0.73 ALDH1A1 (0.43) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL11766166 0.73 CA1 (0.56) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL27781372 0.73 AHR (0.55) CA1CA2GABRA1GABRB2LMNA
Acrylic Acid SCHEMBL30923509 0.72 CA1 (0.50) CA1CA2GABRA1GABRB1GABRB2

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
US-4039630-A Elastomer SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-08-02 US claimed
JP-62039522-A None JP disclosed
EP-1481981-B1 Styrene hypophosphite adduct, preparation thereof and use CLARIANT PRODUKTE DEUTSCHLAND (DE) 2007-08-15 EP disclosed
US-20070172901-A1 Method for the evaluation of the functional status of the growth factor receptor protein expressed in malignant tumors OKABE HIDETOSHI 2007-07-26 US disclosed
US-7220791-B2 Styrene-hypophosphite adduct, a process for preparation thereof, and its use CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2007-05-22 US disclosed
EP-1736770-A1 METHOD OF EXAMINING MALIGNANT TUMOR Okabe, Hidetoshi (JP) 2006-12-27 EP disclosed
US-20060094682-A1 Kinase inhibitors for the treatment of diabetes and obesity ODYSSEY THERA, INC. (US) 2006-05-04 US disclosed
EP-1481981-A2 Styrene hypophosphite adduct, preparation thereof and use Clariant GmbH (DE) 2004-12-01 EP disclosed
US-6486272-B1 METAL COMPOUND INTERACTS WITH A VINYL COMPOUND WITH A FUNCTIONAL GROUP TO MASK IT AND COPOLYMERIZING WITH A STYRENE IN THE PRESENCE OF TRANSITION METAL COMPOUND, OXYGEN COMPOUNDS WHICH FORM IONIC COMPLEXES, AND AN ORGANOMETALLIC COMPOUND IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2002-11-26 US disclosed
US-20020173605-A1 PROCESS FOR PRODUCING FUNCTIONAL STYRENE COPOLYMER AND FUNCTIONAL STYRENE COPOLYMER IDEMITSU KOSAN CO.,LTD. (JP) 2002-11-21 US disclosed
EP-0537742-B1 Styrene derivatives MITSUBISHI CHEM CORP (JP) 1996-08-21 EP disclosed
EP-0721930-A1 BENZOYLETHYLENE DERIVATIVE MITSUBISHI CHEMICAL CORPORATION (JP) 1996-07-17 EP disclosed
US-5514711-A ANTICARCINOGENIC AGENTS; SIDE EFFECT REDUCTION MITSUBISHI CHEMICAL CORPORATION (JP) 1996-05-07 US disclosed
EP-0645379-A2 Benzoylacetylene derivatives Mitsubishi Chemical Corporation (JP) 1995-03-29 EP disclosed
EP-0608897-A2 Tyrosine kinase inhibitors and benzoylacrylamide derivatives Mitsubishi Chemical Corporation (JP) 1994-08-03 EP disclosed
EP-0537742-A2 Styrene derivatives Mitsubishi Chemical Corporation (JP) 1993-04-21 EP disclosed
US-5124234-A Protective coating for printed circuits FUJI PHOTO FILM CO., LTD. (JP) 1992-06-23 US disclosed
JP-S6239522-A ANTIENZYME KANEGAFUCHI CHEM IND CO LTD 1987-02-20 JP disclosed
US-4039630-A Elastomer SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-08-02 US disclosed
US-4035559-A CROSSLINKING AGENT SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-07-12 US disclosed