SCHEMBL4570322

SCHEMBL4570322

O=C(OCOc1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.57
MAPK1 P28482 1/20 0.55
HIF1A Q16665 1/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55
KMT2A Q03164 1/20 0.55
LMNA P02545 2/20 0.53
ALDH1A1 P00352 2/20 0.53
RAB9A P51151 5/20 0.51
MAPT P10636 2/20 0.51
TSHR P16473 2/20 0.50
F2 P00734 1/20 0.50
ALOX15 P16050 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
PKM P14618 1/20 0.48
NPC1 O15118 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL16604044 0.85 TDP1 (0.59) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL28875175 0.85 TDP1 (0.68) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL51601 0.85 TDP1 (0.68) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL14978089 0.83 TDP1 (0.56) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL4737513 0.83 NSD2 (0.63) L3MBTL1
SCHEMBL5021063 0.83 TDP1 (0.56) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL2853034 0.82 TDP1 (0.66) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL5021052 0.81 TDP1 (0.54) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL21953404 0.81 TDP1 (0.67) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL29140273 0.81 ALOX15 (0.56) TDP1KMT2AALDH1A1RAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117510338-A Natural naphthoquinone derivative and preparation method and application thereof 贵州大学 2024-02-06 CN claimed
US-20160068655-A1 INTEGRATED PROCESS FOR THE PRODUCTION OF BENZOATE PLASTICIZERS EASTMAN CHEMICAL COMPANY (US) 2016-03-10 US claimed
CN-103896965-A Heterocyclic substituted styrene compound and application thereof UNIV EAST CHINA SCIENCE & TECH 2014-07-02 CN claimed
JP-4295454-A None JP disclosed
CN-114787667-B Optical laminate, polarizing plate, image display device, and touch panel 富士胶片株式会社 2024-03-22 CN disclosed
CN-117510338-A Natural naphthoquinone derivative and preparation method and application thereof 贵州大学 2024-02-06 CN disclosed
WO-2020063999-A1 MONO HALOGEN OR METHYL-SUBSTITUTED 5-HT2B ANTAGONISTS WITH INCREASED ACTIVITY NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2020-04-02 WO disclosed
US-9464184-B2 Container and composition for enhanced gas barrier properties THE COCA-COLA COMPANY (US) 2016-10-11 US disclosed
US-9359488-B2 Pet container and compositions having enhanced mechanical properties and gas barrier properties and methods THE COCA-COLA COMPANY (US) 2016-06-07 US disclosed
US-20160068655-A1 INTEGRATED PROCESS FOR THE PRODUCTION OF BENZOATE PLASTICIZERS EASTMAN CHEMICAL COMPANY (US) 2016-03-10 US disclosed
US-20150232641-A1 CONTAINER AND COMPOSITION FOR ENHANCED GAS BARRIER PROPERTIES THE COCA-COLA COMPANY (US) 2015-08-20 US disclosed
US-8110265-B2 Pet container and compositions having enhanced mechanical properties and gas barrier properties THE COCA-COLA COMPANY (US) 2012-02-07 US disclosed
CN-102285936-A 4-thiazolidone carboxylic acid derivative and preparation method and application thereof 2011-12-21 CN disclosed
US-20100143546-A1 CONTAINER AND COMPOSITION FOR ENHANCED GAS BARRIER PROPERTIES THE COCA-COLA COMPANY (US) 2010-06-10 US disclosed
US-20100143547-A1 Pet Container And Compositions Having Enhanced Mechanical Properties And Gas Barrier Properties COCA-COLA COMPANY (US) 2010-06-10 US disclosed
CN-100400512-C Benzoic acid derivatives as modulators of PPAR alpha and gamma ASTRAZENECA AB (SE) 2008-07-09 CN disclosed
CN-1662230-A Benzoic acid derivatives as modulators of PPAR alpha and gamma ASTRAZENECA AB (SE) 2005-08-31 CN disclosed
EP-1517680-A1 BENZOIC ACID DERIVATIVES AS MODULATORS OF PPAR ALPHA AND GAMMA Astrazeneca AB (SE) 2005-03-30 EP disclosed
WO-2004000295-A1 BENZOIC ACID DERIVATIVES AS MODULATORS OF PPAR ALPHA AND GAMMA ASTRAZENECA AB (SE) 2003-12-31 WO disclosed
JP-H04295454-A PROCESS FOR PRODUCING E-OXIME EHTER OF PHENYLGLYOXYLIC ESTER BASF AG 1992-10-20 JP 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-20160068655-A1 INTEGRATED PROCESS FOR THE PRODUCTION OF BENZOATE PLASTICIZERS ADH5, PAOX, ADH1C TDP1 1227/4885MAPK1 3296/4885HIF1A 480/4885

“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.