SCHEMBL585295

SCHEMBL585295

O=C(O)Cc1ccc(Cl)c(O)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.72
KDM4E B2RXH2 4/20 0.68
HSD17B10 Q99714 4/20 0.68
GAA P10253 3/20 0.68
TSHR P16473 3/20 0.68
TDP1 Q9NUW8 3/20 0.68
MAPT P10636 3/20 0.68
HPGD P15428 3/20 0.68
NFKB1 P19838 2/20 0.68
RGS12 O14924 1/20 0.68
LMNA P02545 1/20 0.68
POLB P06746 1/20 0.68
APEX1 P27695 1/20 0.68
THPO P40225 1/20 0.68
BLM P54132 1/20 0.68
GNAI1 P63096 1/20 0.68
PMP22 Q01453 1/20 0.68
HIF1A Q16665 1/20 0.68
CAMK2A Q9UQM7 1/20 0.52
ALDH1A1 P00352 4/20 0.52

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
SCHEMBL377506 0.84 CA2 (1.00) CA2KDM4EHSD17B10GAATSHR
SCHEMBL283587 0.83 CA2 (0.71) CA2KDM4EHSD17B10GAATSHR
Methane SCHEMBL7951771 0.82 CA2 (0.69) CA2KDM4EHSD17B10GAATSHR
Hydrochloric Acid SCHEMBL2530252 0.82 CA2 (0.69) CA2KDM4EHSD17B10GAATSHR
3,4-Dihydroxyphenylacetic Acid SCHEMBL29382155 0.81 GAA (1.00) CA2KDM4EHSD17B10GAATSHR
3,4-Dihydroxyphenylacetic Acid SCHEMBL36348 0.81 GAA (1.00) CA2KDM4EHSD17B10GAATSHR
Methyl Alcohol SCHEMBL7045180 0.80 CA2 (0.67) CA2KDM4EHSD17B10GAATSHR
3,4-Dihydroxyphenylacetic Acid SCHEMBL8214151 0.79 GAA (0.96) CA2KDM4EHSD17B10GAATSHR
SCHEMBL15499982 0.79 GAA (0.73) CA2KDM4EHSD17B10GAATSHR
3,4-Dihydroxyphenylacetic Acid SCHEMBL8214147 0.79 GAA (0.96) CA2KDM4EHSD17B10GAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580444-B2 Polycyclic pyrazolinone derivative and herbicide comprising same as effective component thereof SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2017-02-28 US disclosed
US-9580444-B2 Polycyclic pyrazolinone derivative and herbicide comprising same as effective component thereof SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2017-02-28 US disclosed
US-9580444-B2 Polycyclic pyrazolinone derivative and herbicide comprising same as effective component thereof SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2017-02-28 US disclosed
US-20160032047-A1 Peg-based adhesive phenylic derivatives and methods of synthesis and use DSM IP ASSETS B.V. (NL) 2016-02-04 US disclosed
US-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-01-28 US disclosed
US-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-01-28 US disclosed
US-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-01-28 US disclosed
EP-2968667-A1 PEG-BASED ADHESIVE PHENYLIC DERIVATIVES AND METHODS OF SYNTHESIS AND USE DSM IP Assets B.V. (NL) 2016-01-20 EP disclosed
EP-2975040-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF Sagami Chemical Research Institute (JP) 2016-01-20 EP disclosed
WO-2014158288-A1 PEG-BASED ADHESIVE PHENYLIC DERIVATIVES AND METHODS OF SYNTHESIS AND USE DSM IP ASSETS B.V. (NL) 2014-10-02 WO disclosed
EP-1963259-A2 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE AstraZeneca AB (SE) 2008-09-03 EP disclosed
EP-1937632-A1 NOVEL COMPOUNDS Astra Zeneca AB (SE) 2008-07-02 EP disclosed
WO-2007068894-A2 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2007-06-21 WO disclosed
WO-2007039736-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-04-12 WO disclosed
US-7189718-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2007-03-13 US disclosed
US-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-05-11 US disclosed
EP-1608629-A1 BENZYL-PYRIDAZINONS AS REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-28 EP disclosed
EP-1535915-A1 FURAN OR THIOPHENE DERIVATIVE AND MEDICINAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-01 EP disclosed
US-20040198736-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2004-10-07 US disclosed
WO-2004085406-A1 BENZYL-PYRIDAZINONS AS REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-07 WO 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-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF DDT, PDHX, CYP4X1 CA2 1003/4885KDM4E 347/4885HSD17B10 989/4885
US-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TXN2, CYP11B2, CYP11B1 CA2 1376/4885KDM4E 3120/4885HSD17B10 207/4885
US-20040198736-A1 Non-nucleoside reverse transcriptase inhibitors POLR1A, POLR2A, POLR2E CA2 4853/4885KDM4E 1595/4885HSD17B10 590/4885

“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.