SCHEMBL6705335

SCHEMBL6705335

CC(C=CC#N)C(=CC=Cc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.49
LMNA P02545 5/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 1/20 0.40
GRIK1 P39086 1/20 0.40
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38

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
SCHEMBL8211323 0.89 MCL1 (0.43) MCL1LMNAHPGDHTTKDM4E
SCHEMBL19205915 0.86 GRIK1 (0.46) MCL1LMNAHPGDHTTKDM4E
SCHEMBL6471965 0.83 MCL1 (0.46) MCL1LMNAHPGDHTTKDM4E
SCHEMBL9507943 0.82 HDAC3 (0.47) MCL1LMNAHPGDKDM4EALDH1A1
SCHEMBL328948 0.81 GRIK1 (0.42) MCL1LMNAHPGDHTTKDM4E
SCHEMBL11576286 0.78 TDP1 (0.35) MCL1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL10482273 0.76 AKR1C3 (0.45) MCL1LMNAHPGDKDM4EALDH1A1
SCHEMBL9422272 0.75 CYP1A2 (0.40) MCL1LMNAHPGDHTTALDH1A1
SCHEMBL5879478 0.73 MCL1 (0.49) MCL1LMNAHPGDHTTKDM4E
SCHEMBL7644846 0.73 TDP1 (0.36) MCL1LMNAALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4965315-A AROMATIC VINYL MONOMER AND VINYL CYANIDE MONOMER, DIENE RUBBER LATEX DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-10-23 US claimed
US-20040197460-A1 Fatty acid esters composition of a polyglycerine, a process for the preparation thereof, a process for the preparation of a highly-purified fatty acid esters composition of a polyglycerine, a highly-purified fatty acid esters composition of a polyglycerine, an additive for food-stuffs, a resin composition, and a composition for cosmetic or detergents ENDO TOSHIO (JP) 2004-10-07 US disclosed
US-6693150-B1 THERMOPLASTIC RESIN AND GLYCERIDE WITH HIGH CONCENTRATION OF MONOESTER AND VERY LOW OXIRANE CONTENT DAICEL CHEMICAL INDUSTRIES LTD. (JP) 2004-02-17 US disclosed
US-6339165-B1 AS ADDITIVES FOR FOOD-STUFFS, THERMOPLASTIC RESINS, COSMETICS OR DETERGENTS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-01-15 US disclosed
US-6278008-B1 AS ADDITIVES FOR FOOD-STUFFS, THERMOPLASTIC RESINS, COSMETICS OR DETERGENTS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-08-21 US disclosed
EP-0758641-B1 A fatty acid esters composition of a polyglycerine, a process for the preparation thereof, a process for the preparation of a highly-purified fatty acid esters composition of a polyglycerine, a highly-purified fatty acid esters composition of a polyglycerine, an additive for food-stuffs, a resin composition, and a composition for cosmetics or detergents DAICEL CHEM (JP) 2000-08-30 EP disclosed
EP-0758641-A1 A fatty acid esters composition of a polyglycerine, a process for the preparation thereof, a process for the preparation of a highly-purified fatty esters composition of a polyglycerine, a highly-purified fatty esters composition of a polyglycerine, an additive for food-stuffs, a resin composition, and a composition for cosmetics or detergents DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1997-02-19 EP disclosed
EP-0555471-B1 METHOD OF OBTAINING POLYSTYRENE PLASTICS OKHTINSKOE N PROIZV OBIENINENI (RU) 1997-01-29 EP disclosed
US-5464915-A Calcium triphosphate stabilizers for addition polymerization PLASTPOLYMER SHARE HOLDING COMPANY (RU) 1995-11-07 US disclosed
EP-0555471-A1 METHOD OF OBTAINING POLYSTYRENE PLASTICS OKHTINSKOE NAUCHNO-PROIZVODSTVENNOE OBIENINENIE "PLASTOPOLIMER" (SU) 1993-08-18 EP disclosed
US-4965315-A AROMATIC VINYL MONOMER AND VINYL CYANIDE MONOMER, DIENE RUBBER LATEX DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-10-23 US disclosed
EP-0326938-A2 Impact-modified polycarbonate RÖHM GMBH (DE) 1989-08-09 EP disclosed
US-4802769-A PRESSURIZED, SLIT BARREL FOR KNEADING AND EXTRUDING EMULSION GRAFT POLYMERS VEB KOMBINAT POLYGRAPH "WERNER LAMBERZ" LEIPZIG (DE) 1989-02-07 US disclosed
US-4458046-A BLEND TO IMPROVE HEAT DEFORMATION CHARACTERISTCS ETHYL CORPORATION (US) 1984-07-03 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 (1 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-20040197460-A1 Fatty acid esters composition of a polyglycerine, a process for the preparation thereof, a process for the preparation of a highly-purified fatty acid esters composition of a polyglycerine, a highly-purified fatty acid esters composition of a polyglycerine, an additive for food-stuffs, a resin composition, and a composition for cosmetic or detergents DGAT2, FASN, SQLE MCL1 3922/4885LMNA 2911/4885HPGD 131/4885

“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.