SCHEMBL529637

SCHEMBL529637

COc1ccc(OC)c(/C=C/C(=O)O)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.79
NFKB1 P19838 1/20 0.79
ABCG2 Q9UNQ0 1/20 0.72
PDE4A P27815 1/20 0.68
PDE4B Q07343 1/20 0.68
PDE4C Q08493 1/20 0.68
PDE4D Q08499 1/20 0.68
MAPT P10636 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
ATM Q13315 2/20 0.63
KDM4E B2RXH2 2/20 0.63
TDP1 Q9NUW8 1/20 0.63
LMNA P02545 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
CYP1A1 P04798 2/20 0.60
CYP1B1 Q16678 2/20 0.60
CYP1A2 P05177 1/20 0.60
NFE2L2 Q16236 1/20 0.60
ALDH1A1 P00352 3/20 0.59
MEN1 O00255 1/20 0.59

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
SCHEMBL529638 1.00 JUN (0.79) JUNNFKB1ABCG2PDE4APDE4B
SCHEMBL29814346 1.00 JUN (0.79) JUNNFKB1ABCG2PDE4APDE4B
SCHEMBL10468838 0.91 JUN (0.85) JUNNFKB1ABCG2PDE4APDE4B
SCHEMBL10468839 0.91 JUN (0.85) JUNNFKB1ABCG2PDE4APDE4B
SCHEMBL15163802 0.89 JUN (0.68) JUNNFKB1ABCG2PDE4APDE4B
SCHEMBL5598600 0.88 JUN (1.00) JUNNFKB1ABCG2PDE4APDE4B
SCHEMBL5598598 0.88 JUN (1.00) JUNNFKB1ABCG2PDE4APDE4B
SCHEMBL15428890 0.88 JUN (0.66) JUNNFKB1ABCG2PDE4APDE4B
SCHEMBL10469550 0.87 JUN (0.79) JUNNFKB1ABCG2PDE4APDE4B
SCHEMBL10469552 0.87 JUN (0.79) JUNNFKB1ABCG2PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115417789-A Novel compound for treating Parkinson's disease, preparation method thereof, compound pharmaceutical composition and application 郑州大学 2022-12-02 CN claimed
US-10072043-B2 Inhibitors of protein tyrosine phosphatases INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-09-11 US claimed
EP-1429768-B1 NOVEL MEDICAMENTS FOR INHALATION BOEHRINGER INGELHEIM PHARMA (DE) 2016-11-16 EP claimed
US-20160176922-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES Indiana University Research and Technology Corpora tion (US) 2016-06-23 US claimed
US-9217012-B2 Inhibitors of protein tyrosine phosphatases INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-12-22 US claimed
CN-104487581-A Enzymes and methods for styrene synthesis PHYTOGENE INC 2015-04-01 CN claimed
US-20120088720-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATI (US) 2012-04-12 US claimed
WO-2010118241-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2010-10-14 WO claimed
US-7732625-B2 Colorant compounds XEROX CORPORATION (US) 2010-06-08 US claimed
US-7311767-B2 Forming a salt of a liquid phase change ink carrier of stearyl stearamide, an amine substituted Xanthene, acridine, anthracene or thioxanthene chromogen, and a metal salt capable of forming a compound with two chromogens XEROX CORPORATION (US) 2007-12-25 US claimed
US-20050256149-A1 Pharmaceutical compositions containing tiotropium salts and low-solubility salmeterol salts BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-11-17 US claimed
US-6946025-B2 Process for preparing tetra-amide compounds XEROX CORPORATION (US) 2005-09-20 US claimed
US-6919325-B2 Respiratory system disorders; synergistic mixtures BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-07-19 US claimed
US-6916890-B1 Thermally reworkable epoxy resins and compositions based thereon HENKEL CORPORATION (US) 2005-07-12 US claimed
US-20050090690-A1 Process for preparing tetra-amide compounds XEROX CORPORATION 2005-04-28 US claimed
EP-1429768-A1 NOVEL MEDICAMENTS FOR INHALATION Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-06-23 EP claimed
EP-1331482-A1 Conjugate for the detection of antigens with biosensors BMS Sensor Technology SA (CH) 2003-07-30 EP claimed
US-20030130300-A1 Respiratory system disorders; synergistic mixtures BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-07-10 US claimed
WO-2003031492-A1 THERMALLY REWORKABLE EPOXY RESINS AND COMPOSITIONS BASED THEREO N HENKEL CORPORATION (US) 2003-04-17 WO claimed
WO-2003024452-A1 NOVEL MEDICAMENTS FOR INHALATION BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-03-27 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-10072043-B2 Inhibitors of protein tyrosine phosphatases PTPRCAP, PTPRF, PTPRS JUN 3604/4885NFKB1 3303/4885ABCG2 999/4885
US-20050256149-A1 Pharmaceutical compositions containing tiotropium salts and low-solubility salmeterol salts ADRB3, ADRB1, HSD3B1 JUN 4684/4885NFKB1 575/4885ABCG2 749/4885
US-20160176922-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES PTPRCAP, PTPRF, PTPRS JUN 3604/4885NFKB1 3303/4885ABCG2 999/4885
US-20050090690-A1 Process for preparing tetra-amide compounds TAF9, TAF5, TAF1 JUN 1337/4885NFKB1 677/4885ABCG2 3845/4885
US-20120088720-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES PTPRCAP, PTPRF, PTPRS JUN 3604/4885NFKB1 3303/4885ABCG2 999/4885
US-20030130300-A1 Respiratory system disorders; synergistic mixtures ADRB3, ADRB1, CHRM3 JUN 4444/4885NFKB1 459/4885ABCG2 2067/4885

“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.