SCHEMBL5037236

SCHEMBL5037236

CC(C)(C)c1ccc(CP(=O)(O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 5/20 0.61
PGK2 P07205 5/20 0.61
ANPEP P15144 1/20 0.53
ERAP2 Q6P179 1/20 0.53
ENPP2 Q13822 1/20 0.50
EPHX2 P34913 5/20 0.45
NR1H4 Q96RI1 3/20 0.45
HDAC3 O15379 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ACP3 P15309 1/20 0.44
HDAC1 Q13547 1/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
ESRRG P62508 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
SCHEMBL26042678 0.86 ANPEP (0.47) PGK1PGK2ANPEPERAP2EPHX2
SCHEMBL1617420 0.82 PGK1 (0.67) PGK1PGK2ENPP2ACP3
SCHEMBL915532 0.81 ESR1 (0.57) PGK1PGK2ENPP2MEN1KMT2A
SCHEMBL7193887 0.80 EPHX2 (0.44) PGK1PGK2ANPEPERAP2EPHX2
SCHEMBL2995687 0.79 PGK1 (0.72) PGK1PGK2ENPP2ACP3
SCHEMBL10486908 0.79 ANPEP (0.53) ANPEPERAP2EPHX2NR1H4HDAC3
SCHEMBL9512473 0.79 PGK1 (0.56) PGK1PGK2ANPEPERAP2ENPP2
SCHEMBL2865155 0.78 SLC5A1 (0.48) PGK1PGK2ANPEPERAP2EPHX2
SCHEMBL240726 0.77 PGK1 (0.54) PGK1PGK2ANPEPERAP2ENPP2
SCHEMBL915820 0.77 EPHX2 (0.51) PGK1PGK2ENPP2EPHX2NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113976327-A Tin mineral collecting agent, preparation method and application 广东省科学院资源利用与稀土开发研究所 2022-01-28 CN claimed
EP-2949781-B1 RINSABLE METAL PRETREATMENT METHODS AND COMPOSITIONS CHEMETALL CORP (US) 2017-11-22 EP claimed
EP-2949781-A1 RINSABLE METAL PRETREATMENT METHODS AND COMPOSITIONS Chemetall Corp. (US) 2015-12-02 EP claimed
US-8585834-B2 Rinsable metal pretreatment methods and compositions CHEMETALL CORPORATION 2013-11-19 US claimed
US-20080245444-A1 Rinsable metal pretreatment methods and compositions GENERAL ELECTRIC COMPANY (US) 2008-10-09 US claimed
EP-1841898-A1 RINSABLE METAL PRETREATMENT METHODS AND COMPOSITIONS General Electric Company (US) 2007-10-10 EP claimed
WO-2006076197-A1 RINSABLE METAL PRETREATMENT METHODS AND COMPOSITIONS GENERAL ELECTRIC COMPANY (US) 2006-07-20 WO claimed
US-20060151070-A1 Rinsable metal pretreatment methods and compositions GENERAL ELECTRIC COMPANY (US) 2006-07-13 US claimed
US-20230272010-A1 ANTIBACTERIAL SYNTHETIC-BIOINFORMATIC NATURAL PRODUCTS AND USES THEREOF UNIV ROCKEFELLER (US) 2023-08-31 US disclosed
CN-113976327-B Tin mineral collector, preparation method and application 广东省科学院资源利用与稀土开发研究所 2023-08-04 CN disclosed
US-11339184-B2 Antibacterial compounds, compositions thereof, and methods using same THE ROCKEFELLER UNIVERSITY (US) 2022-05-24 US disclosed
CN-113976327-A Tin mineral collecting agent, preparation method and application 广东省科学院资源利用与稀土开发研究所 2022-01-28 CN disclosed
US-20210024562-A1 ANTIBACTERIAL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS USING SAME THE ROCKEFELLER UNIVERSITY 2021-01-28 US disclosed
EP-2949781-B1 RINSABLE METAL PRETREATMENT METHODS AND COMPOSITIONS CHEMETALL CORP (US) 2017-11-22 EP disclosed
US-20060008680-A1 Magnetic recording medium FUJI PHOTO FILM CO., LTD. 2006-01-12 US disclosed
WO-2005012420-A2 FLAME RETARDANT PHOSPHONATE ADDITIVES FOR THERMOPLASTICS RHODIA INC. (US) 2005-02-10 WO disclosed
US-6572986-B2 Subjecting the phosphor, the organic phosphorus compound, and a polyurethane binder to dispersing processing in order to prepare a coating mixture, applying the coating on a substrate to form phoshor layer FUJI PHOTO FILM CO., LTD. (JP) 2003-06-03 US disclosed
US-20010053461-A1 Radiation image storage panel and process for producing the same FUJIFILM CORPORATION (JP) 2001-12-20 US disclosed
US-6099895-A PHOSPHONIC ACID SURFACE MODIFYING COMPOUND IMATION CORP. (US) 2000-08-08 US disclosed
US-5868959-A MAGNETIC PIGMENT HAVING ARALKYL PHOSPHONIC ACID ADSORBED ONTO SURFACE; HIGH SATURATION MAGNETIZATION AND HIGH SURFACE AREA MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-02-09 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 (3 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-11339184-B2 Antibacterial compounds, compositions thereof, and methods using same CLPP, MPO, SPOUT1 PGK1 1993/4885PGK2 2261/4885ANPEP 1424/4885
US-20230272010-A1 ANTIBACTERIAL SYNTHETIC-BIOINFORMATIC NATURAL PRODUCTS AND USES THEREOF LSS, NRDC, SPOUT1 PGK1 3327/4885PGK2 3900/4885ANPEP 476/4885
US-20210024562-A1 ANTIBACTERIAL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS USING SAME CLPP, MPO, SPOUT1 PGK1 1993/4885PGK2 2261/4885ANPEP 1424/4885

“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.