SCHEMBL791505

SCHEMBL791505

C[C@@H]1CCCC[C@H]1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.62
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
MEN1 O00255 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
PEPD P12955 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL13952183 1.00 EPHX1 (0.62) EPHX1CA1CA2CA4MEN1
SCHEMBL265072 1.00 EPHX1 (0.62) EPHX1CA1CA2CA4MEN1
SCHEMBL10556768 1.00 EPHX1 (0.62) EPHX1CA1CA2CA4MEN1
SCHEMBL301766 1.00 EPHX1 (0.62) EPHX1CA1CA2CA4MEN1
SCHEMBL3382944 1.00 EPHX1 (0.62) EPHX1CA1CA2CA4MEN1
SCHEMBL265657 1.00 EPHX1 (0.62) EPHX1CA1CA2CA4MEN1
SCHEMBL9885352 1.00 EPHX1 (0.62) EPHX1CA1CA2CA4MEN1
SCHEMBL11930055 1.00 EPHX1 (0.62) EPHX1CA1CA2CA4MEN1
SCHEMBL6917395 0.97 EPHX1 (0.60) EPHX1CA1CA2CA4MEN1
SCHEMBL12529955 0.97 EPHX1 (0.60) EPHX1CA1CA2CA4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772450-B2 Beta-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-07-08 US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION 2012-01-26 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7884074-B2 Compounds and methods for prevention and/or treatment of inflammation using the same Ikaria Development Subsidiary Two, LLC (US) 2011-02-08 US disclosed
EP-1406872-B1 DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK & CO INC (US) 2007-12-19 EP disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-0814073-B1 Epimerization of 2- or 4-substituted cyclohexanecarboxylic acids KATAYAMA SEISAKUSHO (JP) 2001-09-12 EP disclosed
US-5831118-A HEATING WITH POTASSIUM HYDROXIDE; ONE STEP KATAYAMA SEIYAKUSYO CO., LTD. (JP) 1998-11-03 US disclosed
EP-0814073-A1 Epimerization of 2- or 4-substituted cyclohexanecarboxylic acids KATAYAMA SEIYAKUSYO CO. Ltd. (JP) 1997-12-29 EP disclosed
EP-0340971-B1 Attractants for the Mediterranean fruit fly US COMMERCE (US) 1994-01-19 EP disclosed
EP-0340971-A3 ATTRACTANTS FOR THE MEDITERRANEAN FRUIT FLY THE UNITED STATES OF AMERICA as represented by the Secretary United States Department of Commerce (US) 1991-09-11 EP disclosed
EP-0340971-A2 Attractants for the Mediterranean fruit fly THE UNITED STATES OF AMERICA as represented by the Secretary United States Department of Commerce (US) 1989-11-08 EP disclosed
EP-0340971-A2 Attractants for the Mediterranean fruit fly THE UNITED STATES OF AMERICA as represented by the Secretary United States Department of Commerce (US) 1989-11-08 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 (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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 EPHX1 3653/4885CA1 3203/4885CA2 2701/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 EPHX1 3653/4885CA1 3203/4885CA2 2701/4885
US-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS DNPEP, PRKCSH, YWHAZ EPHX1 3782/4885CA1 1198/4885CA2 3048/4885

“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.