SCHEMBL730751

SCHEMBL730751

O=C(O)c1ccc(C2CCCCO2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 10/20 0.48
PRKAA1 Q13131 10/20 0.48
PRKAB1 Q9Y478 10/20 0.48
PRKAA2 P54646 9/20 0.48
PRKAB2 O43741 8/20 0.48
PRKAG3 Q9UGI9 8/20 0.48
PRKAG2 Q9UGJ0 8/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
SRD5A2 P31213 1/20 0.44
KMO O15229 1/20 0.42
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
HNF4A P41235 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL14966664 0.95 PRKAG1 (0.47) PRKAG1PRKAA1PRKAB1PRKAA2PRKAB2
SCHEMBL25680334 0.89 TSHR (0.48) KMT2AMEN1SRD5A2HNF4ATP53
SCHEMBL13374166 0.85 CYP2C9 (0.49) PRKAG1PRKAA1PRKAB1PRKAA2PRKAB2
SCHEMBL7189606 0.82 PRKAG1 (0.43) PRKAG1PRKAA1PRKAB1PRKAA2PRKAB2
SCHEMBL14300774 0.81 KCNH2 (0.41) PRKAG1PRKAA1PRKAB1PRKAA2PRKAB2
SCHEMBL18394292 0.79 KMT2A (0.54) PRKAG1PRKAA1PRKAB1PRKAA2PRKAB2
Bicarbonate SCHEMBL27428524 0.78 SLC18A3 (0.47) PRKAG1PRKAA1PRKAB1PRKAA2PRKAB2
SCHEMBL18215382 0.77 TSHR (0.54) PRKAG1PRKAA1PRKAB1PRKAA2PRKAB2
SCHEMBL28416 0.77 TSHR (0.54) PRKAG1PRKAA1PRKAB1PRKAA2PRKAB2
SCHEMBL4444258 0.77 TSHR (0.54) SRD5A2TP53TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130190502-A1 ACYLATION REACTION OF HYDROXYL GROUP TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-25 US disclosed
US-8431709-B2 Acylation reaction of hydroxyl group TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-04-30 US disclosed
EP-2179007-B1 ALKALOID MONOMERS, LIQUID CRYSTAL COMPOSITIONS AND POLYMER NETWORKS DERIVED THEREFROM DU PONT (US) 2012-10-17 EP disclosed
US-8137582-B2 Alkaloid monomers, liquid crystal compositions and polymer networks derived therefrom E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-20 US disclosed
US-20110193019-A1 ALKALOID MONOMERS, LIQUID CRYSTAL COMPOSITIONS AND POLYMER NETWORKS DERIVED THEREFROM E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-08-11 US disclosed
US-20100249422-A1 ACYLATION REACTION OF HYDROXYL GROUP TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-09-30 US disclosed
EP-2196451-A1 ACYLATION REACTION OF HYDROXYL GROUP Takasago International Corporation (JP) 2010-06-16 EP disclosed
EP-2179007-A1 ALKALOID MONOMERS, LIQUID CRYSTAL COMPOSITIONS AND POLYMER NETWORKS DERIVED THEREFROM E. I. du Pont de Nemours and Company (US) 2010-04-28 EP disclosed
WO-2009023762-A1 ALKALOID MONOMERS, LIQUID CRYSTAL COMPOSITIONS AND POLYMER NETWORKS DERIVED THEREFROM E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-02-19 WO disclosed
EP-1976511-A2 FLUORINATED ARYLAMIDE DERIVATIVES Merck & Co., Inc. (US) 2008-10-08 EP disclosed
EP-1973405-A2 HYDROXYALKYLARYLAMIDE DERIVATIVES Merck & Co., Inc. (US) 2008-10-01 EP disclosed
WO-2007087130-A2 HYDROXYALKYLARYLAMIDE DERIVATIVES MERCK & CO., INC. (US) 2007-08-02 WO disclosed
WO-2007087129-A2 FLUORINATED ARYLAMIDE DERIVATIVES MERCK & CO., INC. (US) 2007-08-02 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-20110193019-A1 ALKALOID MONOMERS, LIQUID CRYSTAL COMPOSITIONS AND POLYMER NETWORKS DERIVED THEREFROM BHMT, BHMT2, NOTUM PRKAG1 4337/4885PRKAA1 4032/4885PRKAB1 4496/4885
US-20130190502-A1 ACYLATION REACTION OF HYDROXYL GROUP ADH5, ADH1A, ACADM PRKAG1 2341/4885PRKAA1 685/4885PRKAB1 2760/4885
US-20100249422-A1 ACYLATION REACTION OF HYDROXYL GROUP ADH5, ADH1A, ACADM PRKAG1 2341/4885PRKAA1 685/4885PRKAB1 2760/4885

“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.