SCHEMBL3941815

SCHEMBL3941815

CCCCOC(=O)CCC(=O)c1ccccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.55
TDP1 Q9NUW8 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
CYP3A4 P08684 2/20 0.50
MAPK1 P28482 2/20 0.50
TP53 P04637 1/20 0.50
ALDH1A1 P00352 5/20 0.49
LMNA P02545 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NAAA Q02083 1/20 0.44
GAA P10253 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL9348474 0.84 TSHR (0.50) TSHRTDP1ALDH1A1LMNAHSD17B10
2-Hydroxybenzoic Acid Butyl Ester SCHEMBL28249418 0.84 TSHR (0.67) TSHRTDP1L3MBTL1CYP3A4MAPK1
2-Hydroxybenzoic Acid Butyl Ester SCHEMBL27413133 0.81 TSHR (0.77) TSHRTDP1L3MBTL1CYP3A4MAPK1
Dibutyl Phthalate SCHEMBL9771936 0.81 TSHR (0.83) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL5341547 0.81 HTT (0.57) ALDH1A1LMNAMEN1KMT2ANAAA
SCHEMBL9345558 0.80 CYP4F2 (0.50) TSHRTDP1CYP3A4ALDH1A1HSD17B10
2-Hydroxybenzoic Acid Butyl Ester SCHEMBL27587663 0.80 TSHR (0.75) TSHRTDP1L3MBTL1CYP3A4MAPK1
Catechol SCHEMBL28332909 0.80 DGKA (0.62) TSHRTDP1L3MBTL1CYP3A4MAPK1
2-Hydroxybenzoic Acid Butyl Ester SCHEMBL62565 0.80 TSHR (0.80) TSHRTDP1L3MBTL1CYP3A4MAPK1
2-Hydroxybenzoic Acid Butyl Ester SCHEMBL29421150 0.80 TSHR (0.80) TSHRTDP1L3MBTL1CYP3A4MAPK1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1133357-B1 POLYMER-SUPPORTED PHOSPHORUS LIGANDS FOR CATALYSIS DU PONT (US) 2009-04-15 EP disclosed
US-7238841-B2 Polymer-supported phosphorus ligands for catalysts E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-07-03 US disclosed
US-7238841-B2 Polymer-supported phosphorus ligands for catalysts E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-07-03 US disclosed
US-7238841-B2 Polymer-supported phosphorus ligands for catalysts E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-07-03 US disclosed
US-7098261-B2 Polymer-supported phosphorus ligands for catalysis E. I. DU PONT DE NEMOURS AND COMPANY (US) 2006-08-29 US disclosed
EP-1604738-A2 Process for the preparation of coumarin E.I. du Pont de Nemours and Company (US) 2005-12-14 EP disclosed
EP-1593431-A2 Polymer-supported phosphorus ligands for catalysis E. I. du Pont de Nemours and Company (US) 2005-11-09 EP disclosed
EP-1593432-A2 Polymer-supported phosphorus ligands for catalysis E.I. du Pont de Nemours and Company (US) 2005-11-09 EP disclosed
EP-1593430-A2 Polymer-Supported phosphorus ligands for catalysts E.I. DU PONT DE NEMOURS & COMPANY INCORPORATED (US) 2005-11-09 EP disclosed
US-20030228629-A1 Polymer-supported phosphorus ligands for catalysts FAGAN PAUL J (US) 2003-12-11 US disclosed
US-6630604-B1 Phosphine and phosphine oxide ligands are prepared using polymeric supports. These compounds can be easily cleaved from the support, and along with the corresponding supported compounds, used as ligands in the preparation of novel, E. I. DU PONT DE NEMOURS AND COMPANY 2003-10-07 US disclosed
US-20030104476-A1 Polymer-supported phosphorus ligands for catalysis FAGAN PAUL J (US) 2003-06-05 US disclosed
EP-1133357-A2 POLYMER-SUPPORTED PHOSPHORUS LIGANDS FOR CATALYSIS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-09-19 EP disclosed
WO-2000021663-A2 POLYMER-SUPPORTED PHOSPHORUS LIGANDS FOR CATALYSIS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-04-20 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 (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-20030228629-A1 Polymer-supported phosphorus ligands for catalysts PHOSPHO1, PSPH, PNKP TSHR 4266/4885TDP1 2503/4885L3MBTL1 3879/4885

“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.