SCHEMBL2039972

SCHEMBL2039972

CCCCCCCCCCCCOc1ccc(C(C)=O)cc1

nearest known ligand 0.86

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.86
L3MBTL1 Q9Y468 1/20 0.82
TP53 P04637 1/20 0.75
TSHR P16473 1/20 0.75
PLA2G4B P0C869 6/20 0.73
RARB P10826 3/20 0.69
PLA2G4A P47712 1/20 0.65
NR5A1 Q13285 1/20 0.62
THRA P10827 2/20 0.61
THRB P10828 2/20 0.61

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
SCHEMBL3968275 1.00 GAA (0.86) GAAL3MBTL1TP53TSHRPLA2G4B
SCHEMBL2039230 1.00 GAA (0.86) GAAL3MBTL1TP53TSHRPLA2G4B
SCHEMBL2354201 1.00 GAA (0.86) GAAL3MBTL1TP53TSHRPLA2G4B
SCHEMBL15177361 1.00 GAA (0.86) GAAL3MBTL1TP53TSHRPLA2G4B
SCHEMBL10497781 1.00 GAA (0.86) GAAL3MBTL1TP53TSHRPLA2G4B
SCHEMBL10499017 1.00 GAA (0.86) GAAL3MBTL1TP53TSHRPLA2G4B
SCHEMBL762326 1.00 GAA (0.86) GAAL3MBTL1TP53TSHRPLA2G4B
SCHEMBL10497130 1.00 GAA (0.86) GAAL3MBTL1TP53TSHRPLA2G4B
SCHEMBL2035476 1.00 GAA (0.86) GAAL3MBTL1TP53TSHRPLA2G4B
SCHEMBL498865 1.00 GAA (0.86) GAAL3MBTL1TP53TSHRPLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117417360-A Fluorescent compound, preparation method thereof and application thereof in preparation of fluorescent chiral liquid crystal film 苏州欧德丽尔新材料科技有限公司 2024-01-19 CN disclosed
US-9074129-B2 Mechanochromic luminescent difluoroboron beta-diketonates UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2015-07-07 US disclosed
US-20140073558-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. (US) 2014-03-13 US disclosed
US-20130210053-A1 MECHANOCHROMIC LUMINESCENT DIFLUOROBORON BETA-DIKETONATES UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2013-08-15 US disclosed
US-8507647-B2 Antibacterial agents for the treatment of gram positive infections CUBIST PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
WO-2011068537-A2 MECHANOCHROMIC LUMINESCENT DIFLUOROBORON BETA-DIKETONATES FRASER CASSANDRA L (US) 2011-06-09 WO disclosed
US-7898625-B2 Liquid crystal device having a pair of electrodes with a vertical alignment film in which the chiral pitch length to gap ratio (P/G) is 0.06 to less than 1.0 FUJIFILM CORPORATION (JP) 2011-03-01 US disclosed
US-7736533-B2 Liquid crystal composition, liquid crystal device, reflective display material and light modulating material FUJIFILM CORPORATION (JP) 2010-06-15 US disclosed
US-20100039595-A1 LIQUID CRYSTAL DEVICE FUJIFILM CORPORATION (JP) 2010-02-18 US disclosed
US-7566737-B2 Combinations of substituted 1,3-diphenylprop-2-en-1-one derivatives with other therapeutically active ingredients GENFIT (FR) 2009-07-28 US disclosed
US-20090098314-A1 Liquid crystal composition, liquid crystal device, reflective display material and light modulating material FUJIFILM CORPORATION (JP) 2009-04-16 US disclosed
US-20070032543-A1 Combinations of substituted 1,3-diphenylprop-2-EN-1-one derivatives with other therapeutically active ingredients GENFIT (FR) 2007-02-08 US disclosed
EP-0296793-B1 COLOUR PHOTOGRAPHIC SILVER HALIDE MATERIALS AND PROCESS EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1993-08-25 EP disclosed
EP-0328669-A1 CHALCONE DERIVATIVE COMPOUNDS NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 EP disclosed
EP-0296793-A2 Colour photographic silver halide materials and process EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1988-12-28 EP disclosed
US-4192895-A SUBSTITUTED BENZALDEHYDES AND PHENYL ALKYL KETONES RICHARDSON-MERRELL INC. (US) 1980-03-11 US disclosed
US-4122191-A SUBSTITUTED BENZALDEHYDES OR PHENYL ALKYL KETONES RICHARDSON-MERRELL INC. (US) 1978-10-24 US disclosed
US-4057530-A STABILIZERS FOR VINYL CHLORIDE POLYMERS LABAZ (FR) 1977-11-08 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-20070032543-A1 Combinations of substituted 1,3-diphenylprop-2-EN-1-one derivatives with other therapeutically active ingredients PSEN1, BACE1, PSEN2 GAA 310/4885L3MBTL1 3034/4885TP53 762/4885
US-20140073558-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 GAA 979/4885L3MBTL1 1585/4885TP53 4408/4885

“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.