SCHEMBL4242743

SCHEMBL4242743

CCP(Cc1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
CYP3A4 P08684 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CALM1 P0DP23 1/20 0.36
TSHR P16473 4/20 0.34
ALDH1A1 P00352 3/20 0.34
EPHX2 P34913 1/20 0.34
IDO1 P14902 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 2/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
TRPA1 O75762 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL4250554 0.85 TDP1 (0.43) TP53CYP3A4TDP1CALM1TSHR
SCHEMBL28156449 0.83 LTA4H (0.52) TP53TDP1ALDH1A1IDO1SMN1; SMN2
SCHEMBL231466 0.83 CYP3A4 (0.45) TP53CYP3A4TDP1CALM1TSHR
SCHEMBL4251209 0.83 TP53 (0.41) TP53CYP3A4TDP1CALM1TSHR
SCHEMBL14609301 0.81 TDP1 (0.39) TP53CYP3A4TDP1CALM1TSHR
SCHEMBL9883762 0.81 TDP1 (0.39) TP53CYP3A4TDP1CALM1TSHR
SCHEMBL4257325 0.80 CYP3A4 (0.43) TP53CYP3A4TDP1CALM1TSHR
SCHEMBL11551492 0.80 CYP3A4 (0.43) TP53CYP3A4TDP1CALM1TSHR
SCHEMBL15660615 0.80 CALM1 (0.43) TP53CYP3A4TDP1CALM1TSHR
SCHEMBL5588513 0.80 CYP3A4 (0.43) TP53CYP3A4TDP1CALM1TSHR

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1876193-B1 PROCESS FOR PRODUCING POLYOXYMETHYLENE COPOLYMER MITSUBISHI GAS CHEMICAL CO (JP) 2013-12-25 EP disclosed
US-7897672-B2 Process for producing polyoxymethylene copolymer MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2011-03-01 US disclosed
US-20090062503-A1 Process for Producing Polyoxymethylene Copolymer MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2009-03-05 US disclosed
EP-1876193-A1 PROCESS FOR PRODUCING POLYOXYMETHYLENE COPOLYMER MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2008-01-09 EP disclosed
US-7309799-B2 Methods for the synthesis of milnacipran and congeners thereof COLLEGIUM PHARMACEUTICAL, INC. (US) 2007-12-18 US disclosed
US-20050282898-A1 Methods for the synthesis of milnacipran and congeners thereof COLLEGIUM PHARMACEUTICAL (US) 2005-12-22 US disclosed
WO-2005118564-A2 METHODS FOR THE SYNTHESIS OF MILNACIPRAN AND CONGENERS THEREOF COLLEGIUM PHARMACEUTICAL, INC. (US) 2005-12-15 WO disclosed
US-20030072716-A1 Renewable, carbohydrate based CO2-philes POOVATHINTHODIYIL RAVEENDRAN (US) 2003-04-17 US disclosed
WO-2003000192-A2 RENEWABLE, CARBOHYDRATE BASED CO2-PHILES POOVATHINTHODIYIL RAVEENDRAN (US) 2003-01-03 WO disclosed
US-5817590-A METALLOCENE, IONIZING IONIC COMPOUND, ORGANOALUMINUM COMPOUND, LEWIS BASE TOSOH CORPORATION (JP) 1998-10-06 US disclosed
US-5576259-A POLYMERIZATION CATALYST INCLUDING METALLOCENE COMPOUND, IONIC COMPOUND, ORGANOALUMINUM COMPOUND, AND LEWIS BASE TOSOH CORPORATION (JP) 1996-11-19 US disclosed
EP-0648786-A1 Process for producing alpha-olefin polymer Tosoh Corporation (JP) 1995-04-19 EP disclosed
EP-0619326-A1 Olefin polymerization catalyst and olefin polymerisation process TOSOH CORPORATION (JP) 1994-10-12 EP disclosed
US-4342680-A WITH AN AMINE SUBSTITUTED TRIAZINE, A PHENOL, AND AN ALKALI METAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1982-08-03 US disclosed
US-4339569-A BULK POLYMERIZATION, BORON TRIFLUORIDE CATALYSTS MITSUBISHI GAS CHEMICAL CO., INC. (JP) 1982-07-13 US disclosed
EP-0034935-A1 Titanium trichloride catalyst and process for production of alpha-olefin polymers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-09-02 EP disclosed
US-4187385-A TITANIUM COMPONENT COPULVERIZED WITH ORGANOALUMINUM COMPOUND AND ETHYLENE OR A-OLEFINS, PARTICLE SIZE MITSUI TOATSU CHEMICAL, INC. (JP) 1980-02-05 US disclosed
US-4125540-A WITH ORGANO-PHOSPHORUS COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1978-11-14 US disclosed
US-4087411-A TRIOXANE, BORON FLUORIDE-TYPE CATALYST MITSUBISHI GAS CHEMICAL COMPANY, INC. (JA) 1978-05-02 US disclosed
US-4028481-A ACTIVATED TITANIUM TRICHLORIDE AND AN ORGANOALUMINUM COMPOUND MITSUI TOATSU CHEMICALS, INCORPORATED (JA) 1977-06-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030072716-A1 Renewable, carbohydrate based CO2-philes CA2, GYS2, CA12 TP53 1500/4885CYP3A4 1475/4885TDP1 4386/4885
US-20050282898-A1 Methods for the synthesis of milnacipran and congeners thereof ALDH3A1, DHPS, COASY TP53 4821/4885CYP3A4 77/4885TDP1 2760/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.