SCHEMBL410077

SCHEMBL410077

Cc1c(OCc2ccccc2)cccc1C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.76
MAPT P10636 2/20 0.69
TDP1 Q9NUW8 2/20 0.69
L3MBTL1 Q9Y468 2/20 0.69
MAPK1 P28482 1/20 0.69
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
EDNRA P25101 1/20 0.58
RXRA P19793 2/20 0.55
RXRB P28702 1/20 0.55
RXRG P48443 1/20 0.55
MRGPRX4 Q96LA9 3/20 0.55
SGMS2 Q8NHU3 2/20 0.54
FOLH1 Q04609 1/20 0.52
HPD P32754 1/20 0.52
BRD4 O60885 1/20 0.51
NPC1 O15118 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL2331143 0.88 MAPT (0.65) PTGER1MAPTTDP1L3MBTL1MAPK1
SCHEMBL9540402 0.87 L3MBTL1 (0.67) PTGER1MAPTTDP1L3MBTL1MAPK1
SCHEMBL16319063 0.86 L3MBTL1 (0.63) PTGER1MAPTTDP1L3MBTL1MAPK1
SCHEMBL25720776 0.86 MAPT (0.63) PTGER1MAPTTDP1L3MBTL1MAPK1
SCHEMBL29433417 0.84 SGMS2 (0.66) PTGER1MAPTL3MBTL1SGMS2FOLH1
SCHEMBL112903 0.84 SGMS2 (0.66) PTGER1MAPTL3MBTL1SGMS2FOLH1
Bicarbonate SCHEMBL236872 0.83 SGMS2 (0.64) PTGER1MAPTL3MBTL1SGMS2FOLH1
Bicarbonate SCHEMBL21753662 0.83 SGMS2 (0.64) PTGER1MAPTL3MBTL1SGMS2FOLH1
Bicarbonate SCHEMBL29914194 0.83 SGMS2 (0.64) PTGER1MAPTL3MBTL1SGMS2FOLH1
Hydrochloric Acid SCHEMBL8998291 0.83 SGMS2 (0.64) PTGER1MAPTL3MBTL1SGMS2FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0857713-B1 Process for the preparation of 3-hydroxy- and 3-acetoxy-2-methylbenzoic acid CLARIANT GMBH (DE) 2001-06-13 EP claimed
US-5910605-A Process for the preparation of 3-hydroxy-2-methylbenzoic acid and 3-acetoxy-2-methylbenzoic CLARIANT GMBH (DE) 1999-06-08 US claimed
EP-0857713-A1 Process for the preparation of 3-hydroxy- and 3-acetoxy-2-methylbenzoic acid Clariant GmbH (DE) 1998-08-12 EP claimed
JP-10273475-A None JP disclosed
CN-117794526-A Compositions and methods for antioxidants and anti-inflammatory therapeutics 阿万蒂生物科学股份有限公司 2024-03-29 CN disclosed
CN-108101870-B Preparation method of active ingredient for selectively treating glaucoma and related salt thereof 盐城师范学院 2020-03-06 CN disclosed
CN-108101870-A A kind of active ingredient of selective therapy glaucoma and its preparation method of associated salts 盐城师范学院 2018-06-01 CN disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
EP-3088400-A1 PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON INC. (US) 2016-11-02 EP disclosed
WO-2007002325-A1 PYRROLO[2,3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed
US-6284777-B1 BONE DISORDERS SMITHKLINE BEECHAM CORPORATION 2001-09-04 US disclosed
EP-0857713-B1 Process for the preparation of 3-hydroxy- and 3-acetoxy-2-methylbenzoic acid CLARIANT GMBH (DE) 2001-06-13 EP disclosed
US-5910605-A Process for the preparation of 3-hydroxy-2-methylbenzoic acid and 3-acetoxy-2-methylbenzoic CLARIANT GMBH (DE) 1999-06-08 US disclosed
US-5910605-A Process for the preparation of 3-hydroxy-2-methylbenzoic acid and 3-acetoxy-2-methylbenzoic CLARIANT GMBH (DE) 1999-06-08 US disclosed
JP-H10273475-A PRODUCTION OF 3-HYDROXY-2-METHYLBENZOIC ACID AND 3-ACETOXY-2-METHYLBENZOIC ACID CLARIANT GMBH 1998-10-13 JP disclosed
EP-0857713-A1 Process for the preparation of 3-hydroxy- and 3-acetoxy-2-methylbenzoic acid Clariant GmbH (DE) 1998-08-12 EP disclosed
EP-0857713-A1 Process for the preparation of 3-hydroxy- and 3-acetoxy-2-methylbenzoic acid Clariant GmbH (DE) 1998-08-12 EP disclosed
EP-0079168-B1 PROCESS FOR MAKING 1-(3-BENZYLOXYPHENYL)-1,1-DIMETHYLHEPTANE AND INTERMEDIATES THEREFOR PFIZER INC. (US) 1984-08-22 EP 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-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 PTGER1 2394/4885MAPT 2203/4885TDP1 631/4885

“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.